USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 150:sc= 0.0243 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.111 K(o=-0.087,f=-1.2) USER MOD Set 2.1: A 40 SER OG : rot 43:sc= 0.119 USER MOD Set 2.2: A 43 THR OG1 : rot 32:sc= 0.8 USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 88:sc= 0.765 USER MOD Single : A 12 GLN : amide:sc= -1.43 K(o=-1.4,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 87:sc= 0.0709 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 38:sc= 0.652 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 32 THR OG1 : rot 21:sc= 0.883 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 72:sc= -0.26 USER MOD Single : A 54 THR OG1 : rot 73:sc= 0.469 USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 SER OG : rot 93:sc= 0.923 USER MOD Single : A 62 HIS : no HD1:sc=-0.000532 X(o=-0.00053,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.954 X(o=-0.95,f=-0.59) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 70:sc= 0.583 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 75 GLN : amide:sc= -0.0407 K(o=-0.041,f=-0.59) USER MOD Single : A 76 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.44) USER MOD Single : A 78 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.0075) USER MOD Single : A 80 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-0.53) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.82 K(o=-0.82,f=-2.6!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 154:sc= -0.076 (180deg=-0.408) USER MOD Single : A 110 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.9!) USER MOD Single : A 111 SER OG : rot 4:sc= -0.191 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 75:sc= 0.249 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -128:sc= -0.118 (180deg=-0.502) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -18.272 5.611 1.059 1.00 0.75 N ATOM 103 CA ASP A 8 -17.197 6.039 1.999 1.00 0.71 C ATOM 104 C ASP A 8 -16.284 7.050 1.303 1.00 0.74 C ATOM 105 O ASP A 8 -16.003 6.940 0.127 1.00 0.83 O ATOM 106 CB ASP A 8 -16.377 4.820 2.426 1.00 0.54 C ATOM 107 CG ASP A 8 -15.592 5.152 3.697 1.00 0.46 C ATOM 108 OD1 ASP A 8 -14.685 5.963 3.613 1.00 1.12 O ATOM 109 OD2 ASP A 8 -15.912 4.590 4.731 1.00 1.08 O ATOM 0 HA ASP A 8 -17.646 6.500 2.879 1.00 0.71 H new ATOM 0 HB2 ASP A 8 -17.036 3.970 2.604 1.00 0.54 H new ATOM 0 HB3 ASP A 8 -15.693 4.531 1.628 1.00 0.54 H new ATOM 114 N ILE A 9 -15.818 8.035 2.021 1.00 0.69 N ATOM 115 CA ILE A 9 -14.922 9.052 1.401 1.00 0.72 C ATOM 116 C ILE A 9 -13.464 8.631 1.592 1.00 0.64 C ATOM 117 O ILE A 9 -12.602 8.971 0.806 1.00 0.70 O ATOM 118 CB ILE A 9 -15.154 10.409 2.065 1.00 0.83 C ATOM 119 CG1 ILE A 9 -14.209 11.444 1.452 1.00 0.80 C ATOM 120 CG2 ILE A 9 -14.881 10.297 3.566 1.00 0.89 C ATOM 121 CD1 ILE A 9 -14.949 12.770 1.272 1.00 1.29 C ATOM 0 H ILE A 9 -16.019 8.180 3.010 1.00 0.69 H new ATOM 0 HA ILE A 9 -15.141 9.128 0.336 1.00 0.72 H new ATOM 0 HB ILE A 9 -16.187 10.719 1.906 1.00 0.83 H new ATOM 0 HG12 ILE A 9 -13.341 11.585 2.096 1.00 0.80 H new ATOM 0 HG13 ILE A 9 -13.839 11.089 0.490 1.00 0.80 H new ATOM 0 HG21 ILE A 9 -15.047 11.265 4.039 1.00 0.89 H new ATOM 0 HG22 ILE A 9 -15.553 9.559 4.004 1.00 0.89 H new ATOM 0 HG23 ILE A 9 -13.848 9.987 3.726 1.00 0.89 H new ATOM 0 HD11 ILE A 9 -14.275 13.507 0.835 1.00 1.29 H new ATOM 0 HD12 ILE A 9 -15.803 12.623 0.611 1.00 1.29 H new ATOM 0 HD13 ILE A 9 -15.297 13.127 2.241 1.00 1.29 H new ATOM 133 N THR A 10 -13.181 7.896 2.633 1.00 0.56 N ATOM 134 CA THR A 10 -11.778 7.455 2.873 1.00 0.55 C ATOM 135 C THR A 10 -11.259 6.711 1.641 1.00 0.46 C ATOM 136 O THR A 10 -10.159 6.944 1.181 1.00 0.44 O ATOM 137 CB THR A 10 -11.737 6.524 4.087 1.00 0.57 C ATOM 138 OG1 THR A 10 -12.615 7.016 5.089 1.00 0.64 O ATOM 139 CG2 THR A 10 -10.311 6.464 4.639 1.00 0.66 C ATOM 0 H THR A 10 -13.860 7.582 3.327 1.00 0.56 H new ATOM 0 HA THR A 10 -11.150 8.326 3.062 1.00 0.55 H new ATOM 0 HB THR A 10 -12.050 5.524 3.789 1.00 0.57 H new ATOM 0 HG1 THR A 10 -13.515 6.658 4.940 1.00 0.64 H new ATOM 0 HG21 THR A 10 -10.283 5.801 5.504 1.00 0.66 H new ATOM 0 HG22 THR A 10 -9.639 6.085 3.869 1.00 0.66 H new ATOM 0 HG23 THR A 10 -9.994 7.463 4.938 1.00 0.66 H new ATOM 147 N LEU A 11 -12.041 5.816 1.104 1.00 0.42 N ATOM 148 CA LEU A 11 -11.592 5.059 -0.098 1.00 0.37 C ATOM 149 C LEU A 11 -11.332 6.035 -1.247 1.00 0.38 C ATOM 150 O LEU A 11 -10.627 5.728 -2.189 1.00 0.36 O ATOM 151 CB LEU A 11 -12.679 4.064 -0.511 1.00 0.36 C ATOM 152 CG LEU A 11 -13.075 3.209 0.694 1.00 0.43 C ATOM 153 CD1 LEU A 11 -14.159 2.213 0.280 1.00 0.37 C ATOM 154 CD2 LEU A 11 -11.850 2.446 1.203 1.00 0.69 C ATOM 0 H LEU A 11 -12.972 5.576 1.446 1.00 0.42 H new ATOM 0 HA LEU A 11 -10.675 4.518 0.135 1.00 0.37 H new ATOM 0 HB2 LEU A 11 -13.549 4.598 -0.893 1.00 0.36 H new ATOM 0 HB3 LEU A 11 -12.316 3.428 -1.318 1.00 0.36 H new ATOM 0 HG LEU A 11 -13.457 3.853 1.486 1.00 0.43 H new ATOM 0 HD11 LEU A 11 -14.441 1.604 1.139 1.00 0.37 H new ATOM 0 HD12 LEU A 11 -15.032 2.755 -0.082 1.00 0.37 H new ATOM 0 HD13 LEU A 11 -13.778 1.569 -0.512 1.00 0.37 H new ATOM 0 HD21 LEU A 11 -12.132 1.837 2.062 1.00 0.69 H new ATOM 0 HD22 LEU A 11 -11.467 1.802 0.411 1.00 0.69 H new ATOM 0 HD23 LEU A 11 -11.077 3.155 1.499 1.00 0.69 H new ATOM 166 N GLN A 12 -11.895 7.211 -1.177 1.00 0.45 N ATOM 167 CA GLN A 12 -11.679 8.205 -2.266 1.00 0.50 C ATOM 168 C GLN A 12 -10.301 8.849 -2.104 1.00 0.50 C ATOM 169 O GLN A 12 -9.411 8.642 -2.906 1.00 0.48 O ATOM 170 CB GLN A 12 -12.759 9.287 -2.189 1.00 0.58 C ATOM 171 CG GLN A 12 -12.847 10.017 -3.531 1.00 0.75 C ATOM 172 CD GLN A 12 -13.934 11.091 -3.459 1.00 1.01 C ATOM 173 OE1 GLN A 12 -13.968 11.993 -4.272 1.00 1.29 O ATOM 174 NE2 GLN A 12 -14.831 11.030 -2.514 1.00 1.82 N ATOM 0 H GLN A 12 -12.494 7.526 -0.414 1.00 0.45 H new ATOM 0 HA GLN A 12 -11.734 7.703 -3.232 1.00 0.50 H new ATOM 0 HB2 GLN A 12 -13.721 8.838 -1.943 1.00 0.58 H new ATOM 0 HB3 GLN A 12 -12.524 9.994 -1.393 1.00 0.58 H new ATOM 0 HG2 GLN A 12 -11.887 10.472 -3.773 1.00 0.75 H new ATOM 0 HG3 GLN A 12 -13.073 9.309 -4.328 1.00 0.75 H new ATOM 0 HE21 GLN A 12 -14.802 10.272 -1.832 1.00 1.82 H new ATOM 0 HE22 GLN A 12 -15.561 11.740 -2.457 1.00 1.82 H new ATOM 183 N GLU A 13 -10.115 9.629 -1.074 1.00 0.56 N ATOM 184 CA GLU A 13 -8.793 10.284 -0.867 1.00 0.60 C ATOM 185 C GLU A 13 -7.687 9.227 -0.927 1.00 0.54 C ATOM 186 O GLU A 13 -6.541 9.528 -1.197 1.00 0.54 O ATOM 187 CB GLU A 13 -8.772 10.975 0.500 1.00 0.67 C ATOM 188 CG GLU A 13 -8.562 9.935 1.603 1.00 0.62 C ATOM 189 CD GLU A 13 -7.064 9.735 1.837 1.00 0.87 C ATOM 190 OE1 GLU A 13 -6.402 10.704 2.171 1.00 1.52 O ATOM 191 OE2 GLU A 13 -6.603 8.616 1.680 1.00 1.73 O ATOM 0 H GLU A 13 -10.820 9.840 -0.368 1.00 0.56 H new ATOM 0 HA GLU A 13 -8.628 11.026 -1.648 1.00 0.60 H new ATOM 0 HB2 GLU A 13 -7.974 11.717 0.530 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -9.709 11.507 0.663 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -9.044 10.263 2.524 1.00 0.62 H new ATOM 0 HG3 GLU A 13 -9.026 8.990 1.320 1.00 0.62 H new ATOM 198 N ILE A 14 -8.024 7.990 -0.682 1.00 0.49 N ATOM 199 CA ILE A 14 -6.994 6.914 -0.730 1.00 0.45 C ATOM 200 C ILE A 14 -6.584 6.669 -2.183 1.00 0.38 C ATOM 201 O ILE A 14 -5.427 6.769 -2.539 1.00 0.39 O ATOM 202 CB ILE A 14 -7.571 5.627 -0.139 1.00 0.42 C ATOM 203 CG1 ILE A 14 -7.501 5.689 1.388 1.00 0.44 C ATOM 204 CG2 ILE A 14 -6.761 4.428 -0.637 1.00 0.39 C ATOM 205 CD1 ILE A 14 -8.343 4.561 1.985 1.00 0.42 C ATOM 0 H ILE A 14 -8.967 7.678 -0.451 1.00 0.49 H new ATOM 0 HA ILE A 14 -6.122 7.219 -0.151 1.00 0.45 H new ATOM 0 HB ILE A 14 -8.610 5.519 -0.451 1.00 0.42 H new ATOM 0 HG12 ILE A 14 -6.466 5.599 1.719 1.00 0.44 H new ATOM 0 HG13 ILE A 14 -7.865 6.654 1.740 1.00 0.44 H new ATOM 0 HG21 ILE A 14 -7.172 3.511 -0.216 1.00 0.39 H new ATOM 0 HG22 ILE A 14 -6.811 4.382 -1.725 1.00 0.39 H new ATOM 0 HG23 ILE A 14 -5.722 4.536 -0.326 1.00 0.39 H new ATOM 0 HD11 ILE A 14 -8.293 4.606 3.073 1.00 0.42 H new ATOM 0 HD12 ILE A 14 -9.379 4.672 1.665 1.00 0.42 H new ATOM 0 HD13 ILE A 14 -7.959 3.600 1.643 1.00 0.42 H new ATOM 217 N ILE A 15 -7.527 6.350 -3.027 1.00 0.33 N ATOM 218 CA ILE A 15 -7.194 6.101 -4.458 1.00 0.28 C ATOM 219 C ILE A 15 -6.377 7.275 -5.002 1.00 0.33 C ATOM 220 O ILE A 15 -5.310 7.097 -5.555 1.00 0.29 O ATOM 221 CB ILE A 15 -8.487 5.965 -5.263 1.00 0.28 C ATOM 222 CG1 ILE A 15 -9.192 4.662 -4.878 1.00 0.28 C ATOM 223 CG2 ILE A 15 -8.159 5.943 -6.758 1.00 0.33 C ATOM 224 CD1 ILE A 15 -10.655 4.723 -5.322 1.00 0.31 C ATOM 0 H ILE A 15 -8.513 6.251 -2.787 1.00 0.33 H new ATOM 0 HA ILE A 15 -6.613 5.183 -4.543 1.00 0.28 H new ATOM 0 HB ILE A 15 -9.140 6.811 -5.047 1.00 0.28 H new ATOM 0 HG12 ILE A 15 -8.693 3.814 -5.347 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -9.134 4.509 -3.800 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -9.081 5.846 -7.331 1.00 0.33 H new ATOM 0 HG22 ILE A 15 -7.656 6.870 -7.034 1.00 0.33 H new ATOM 0 HG23 ILE A 15 -7.506 5.097 -6.975 1.00 0.33 H new ATOM 0 HD11 ILE A 15 -11.157 3.795 -5.048 1.00 0.31 H new ATOM 0 HD12 ILE A 15 -11.149 5.562 -4.832 1.00 0.31 H new ATOM 0 HD13 ILE A 15 -10.702 4.855 -6.403 1.00 0.31 H new ATOM 236 N LYS A 16 -6.869 8.473 -4.848 1.00 0.47 N ATOM 237 CA LYS A 16 -6.122 9.657 -5.354 1.00 0.53 C ATOM 238 C LYS A 16 -4.678 9.593 -4.855 1.00 0.53 C ATOM 239 O LYS A 16 -3.740 9.748 -5.611 1.00 0.53 O ATOM 240 CB LYS A 16 -6.783 10.935 -4.833 1.00 0.60 C ATOM 241 CG LYS A 16 -6.425 12.113 -5.746 1.00 0.81 C ATOM 242 CD LYS A 16 -7.548 12.334 -6.765 1.00 1.60 C ATOM 243 CE LYS A 16 -8.792 12.895 -6.066 1.00 1.52 C ATOM 244 NZ LYS A 16 -9.128 14.225 -6.648 1.00 1.94 N ATOM 0 H LYS A 16 -7.757 8.683 -4.393 1.00 0.47 H new ATOM 0 HA LYS A 16 -6.133 9.659 -6.444 1.00 0.53 H new ATOM 0 HB2 LYS A 16 -7.865 10.807 -4.796 1.00 0.60 H new ATOM 0 HB3 LYS A 16 -6.451 11.138 -3.815 1.00 0.60 H new ATOM 0 HG2 LYS A 16 -6.277 13.015 -5.152 1.00 0.81 H new ATOM 0 HG3 LYS A 16 -5.486 11.914 -6.262 1.00 0.81 H new ATOM 0 HD2 LYS A 16 -7.215 13.024 -7.541 1.00 1.60 H new ATOM 0 HD3 LYS A 16 -7.792 11.393 -7.258 1.00 1.60 H new ATOM 0 HE2 LYS A 16 -9.631 12.210 -6.187 1.00 1.52 H new ATOM 0 HE3 LYS A 16 -8.610 12.989 -4.995 1.00 1.52 H new ATOM 0 HZ1 LYS A 16 -9.972 14.608 -6.175 1.00 1.94 H new ATOM 0 HZ2 LYS A 16 -8.329 14.876 -6.510 1.00 1.94 H new ATOM 0 HZ3 LYS A 16 -9.318 14.121 -7.665 1.00 1.94 H new ATOM 258 N THR A 17 -4.496 9.367 -3.584 1.00 0.59 N ATOM 259 CA THR A 17 -3.115 9.292 -3.029 1.00 0.64 C ATOM 260 C THR A 17 -2.336 8.187 -3.746 1.00 0.58 C ATOM 261 O THR A 17 -1.196 8.366 -4.127 1.00 0.55 O ATOM 262 CB THR A 17 -3.183 8.979 -1.532 1.00 0.76 C ATOM 263 OG1 THR A 17 -3.574 10.147 -0.824 1.00 0.91 O ATOM 264 CG2 THR A 17 -1.810 8.518 -1.043 1.00 0.52 C ATOM 0 H THR A 17 -5.244 9.231 -2.905 1.00 0.59 H new ATOM 0 HA THR A 17 -2.611 10.247 -3.178 1.00 0.64 H new ATOM 0 HB THR A 17 -3.912 8.187 -1.358 1.00 0.76 H new ATOM 0 HG1 THR A 17 -4.552 10.199 -0.794 1.00 0.91 H new ATOM 0 HG21 THR A 17 -1.859 8.295 0.023 1.00 0.52 H new ATOM 0 HG22 THR A 17 -1.512 7.622 -1.587 1.00 0.52 H new ATOM 0 HG23 THR A 17 -1.078 9.307 -1.215 1.00 0.52 H new ATOM 272 N LEU A 18 -2.941 7.046 -3.932 1.00 0.59 N ATOM 273 CA LEU A 18 -2.232 5.932 -4.624 1.00 0.61 C ATOM 274 C LEU A 18 -1.767 6.402 -6.004 1.00 0.56 C ATOM 275 O LEU A 18 -0.660 6.127 -6.423 1.00 0.57 O ATOM 276 CB LEU A 18 -3.185 4.744 -4.783 1.00 0.69 C ATOM 277 CG LEU A 18 -3.167 3.888 -3.511 1.00 0.54 C ATOM 278 CD1 LEU A 18 -4.299 2.860 -3.574 1.00 0.76 C ATOM 279 CD2 LEU A 18 -1.824 3.153 -3.382 1.00 0.30 C ATOM 0 H LEU A 18 -3.894 6.837 -3.635 1.00 0.59 H new ATOM 0 HA LEU A 18 -1.367 5.629 -4.034 1.00 0.61 H new ATOM 0 HB2 LEU A 18 -4.196 5.101 -4.977 1.00 0.69 H new ATOM 0 HB3 LEU A 18 -2.889 4.141 -5.642 1.00 0.69 H new ATOM 0 HG LEU A 18 -3.302 4.538 -2.647 1.00 0.54 H new ATOM 0 HD11 LEU A 18 -4.288 2.250 -2.670 1.00 0.76 H new ATOM 0 HD12 LEU A 18 -5.256 3.377 -3.651 1.00 0.76 H new ATOM 0 HD13 LEU A 18 -4.161 2.220 -4.445 1.00 0.76 H new ATOM 0 HD21 LEU A 18 -1.825 2.549 -2.475 1.00 0.30 H new ATOM 0 HD22 LEU A 18 -1.678 2.507 -4.248 1.00 0.30 H new ATOM 0 HD23 LEU A 18 -1.014 3.881 -3.332 1.00 0.30 H new ATOM 291 N ASN A 19 -2.604 7.108 -6.714 1.00 0.56 N ATOM 292 CA ASN A 19 -2.208 7.594 -8.065 1.00 0.62 C ATOM 293 C ASN A 19 -0.933 8.432 -7.954 1.00 0.60 C ATOM 294 O ASN A 19 -0.030 8.316 -8.759 1.00 0.67 O ATOM 295 CB ASN A 19 -3.333 8.452 -8.649 1.00 0.64 C ATOM 296 CG ASN A 19 -4.389 7.546 -9.284 1.00 0.62 C ATOM 297 OD1 ASN A 19 -5.181 6.939 -8.592 1.00 1.32 O ATOM 298 ND2 ASN A 19 -4.436 7.430 -10.583 1.00 1.18 N ATOM 0 H ASN A 19 -3.544 7.369 -6.417 1.00 0.56 H new ATOM 0 HA ASN A 19 -2.025 6.740 -8.718 1.00 0.62 H new ATOM 0 HB2 ASN A 19 -3.784 9.061 -7.866 1.00 0.64 H new ATOM 0 HB3 ASN A 19 -2.932 9.138 -9.395 1.00 0.64 H new ATOM 0 HD21 ASN A 19 -5.138 6.830 -11.016 1.00 1.18 H new ATOM 0 HD22 ASN A 19 -3.771 7.940 -11.165 1.00 1.18 H new ATOM 305 N SER A 20 -0.851 9.276 -6.962 1.00 0.53 N ATOM 306 CA SER A 20 0.368 10.118 -6.801 1.00 0.56 C ATOM 307 C SER A 20 1.595 9.216 -6.655 1.00 0.53 C ATOM 308 O SER A 20 2.634 9.468 -7.230 1.00 0.61 O ATOM 309 CB SER A 20 0.224 10.990 -5.553 1.00 0.55 C ATOM 310 OG SER A 20 -0.687 12.048 -5.821 1.00 0.63 O ATOM 0 H SER A 20 -1.574 9.419 -6.257 1.00 0.53 H new ATOM 0 HA SER A 20 0.488 10.755 -7.677 1.00 0.56 H new ATOM 0 HB2 SER A 20 -0.133 10.390 -4.716 1.00 0.55 H new ATOM 0 HB3 SER A 20 1.194 11.395 -5.264 1.00 0.55 H new ATOM 0 HG SER A 20 -0.783 12.608 -5.022 1.00 0.63 H new ATOM 316 N LEU A 21 1.481 8.166 -5.888 1.00 0.48 N ATOM 317 CA LEU A 21 2.641 7.249 -5.705 1.00 0.50 C ATOM 318 C LEU A 21 3.068 6.686 -7.063 1.00 0.51 C ATOM 319 O LEU A 21 4.228 6.719 -7.421 1.00 0.49 O ATOM 320 CB LEU A 21 2.237 6.098 -4.780 1.00 0.54 C ATOM 321 CG LEU A 21 2.631 6.433 -3.338 1.00 0.27 C ATOM 322 CD1 LEU A 21 1.988 5.422 -2.388 1.00 0.34 C ATOM 323 CD2 LEU A 21 4.155 6.377 -3.182 1.00 0.19 C ATOM 0 H LEU A 21 0.636 7.904 -5.381 1.00 0.48 H new ATOM 0 HA LEU A 21 3.473 7.798 -5.263 1.00 0.50 H new ATOM 0 HB2 LEU A 21 1.162 5.928 -4.843 1.00 0.54 H new ATOM 0 HB3 LEU A 21 2.725 5.176 -5.096 1.00 0.54 H new ATOM 0 HG LEU A 21 2.284 7.438 -3.099 1.00 0.27 H new ATOM 0 HD11 LEU A 21 2.267 5.659 -1.361 1.00 0.34 H new ATOM 0 HD12 LEU A 21 0.904 5.467 -2.489 1.00 0.34 H new ATOM 0 HD13 LEU A 21 2.334 4.419 -2.636 1.00 0.34 H new ATOM 0 HD21 LEU A 21 4.425 6.617 -2.153 1.00 0.19 H new ATOM 0 HD22 LEU A 21 4.509 5.375 -3.426 1.00 0.19 H new ATOM 0 HD23 LEU A 21 4.616 7.099 -3.856 1.00 0.19 H new ATOM 335 N THR A 22 2.139 6.170 -7.820 1.00 0.57 N ATOM 336 CA THR A 22 2.494 5.605 -9.153 1.00 0.64 C ATOM 337 C THR A 22 3.236 6.661 -9.975 1.00 0.68 C ATOM 338 O THR A 22 4.084 6.348 -10.786 1.00 0.74 O ATOM 339 CB THR A 22 1.217 5.190 -9.888 1.00 0.77 C ATOM 340 OG1 THR A 22 0.174 6.099 -9.571 1.00 1.26 O ATOM 341 CG2 THR A 22 0.815 3.778 -9.461 1.00 0.91 C ATOM 0 H THR A 22 1.151 6.115 -7.574 1.00 0.57 H new ATOM 0 HA THR A 22 3.135 4.734 -9.019 1.00 0.64 H new ATOM 0 HB THR A 22 1.396 5.203 -10.963 1.00 0.77 H new ATOM 0 HG1 THR A 22 0.537 7.008 -9.517 1.00 1.26 H new ATOM 0 HG21 THR A 22 -0.094 3.484 -9.985 1.00 0.91 H new ATOM 0 HG22 THR A 22 1.617 3.081 -9.707 1.00 0.91 H new ATOM 0 HG23 THR A 22 0.636 3.760 -8.386 1.00 0.91 H new ATOM 349 N GLU A 23 2.923 7.912 -9.771 1.00 0.68 N ATOM 350 CA GLU A 23 3.612 8.986 -10.541 1.00 0.75 C ATOM 351 C GLU A 23 5.064 9.099 -10.071 1.00 0.67 C ATOM 352 O GLU A 23 5.938 9.492 -10.818 1.00 0.67 O ATOM 353 CB GLU A 23 2.895 10.318 -10.310 1.00 0.87 C ATOM 354 CG GLU A 23 2.021 10.644 -11.523 1.00 1.00 C ATOM 355 CD GLU A 23 2.904 11.130 -12.675 1.00 2.05 C ATOM 356 OE1 GLU A 23 3.471 12.203 -12.547 1.00 1.97 O ATOM 357 OE2 GLU A 23 2.997 10.421 -13.662 1.00 3.39 O ATOM 0 H GLU A 23 2.221 8.236 -9.106 1.00 0.68 H new ATOM 0 HA GLU A 23 3.592 8.742 -11.603 1.00 0.75 H new ATOM 0 HB2 GLU A 23 2.281 10.262 -9.411 1.00 0.87 H new ATOM 0 HB3 GLU A 23 3.624 11.112 -10.149 1.00 0.87 H new ATOM 0 HG2 GLU A 23 1.461 9.760 -11.828 1.00 1.00 H new ATOM 0 HG3 GLU A 23 1.291 11.410 -11.263 1.00 1.00 H new ATOM 364 N GLN A 24 5.327 8.757 -8.840 1.00 0.61 N ATOM 365 CA GLN A 24 6.722 8.845 -8.323 1.00 0.59 C ATOM 366 C GLN A 24 7.420 7.496 -8.508 1.00 0.48 C ATOM 367 O GLN A 24 6.801 6.452 -8.444 1.00 0.42 O ATOM 368 CB GLN A 24 6.693 9.204 -6.836 1.00 0.64 C ATOM 369 CG GLN A 24 6.483 10.711 -6.679 1.00 0.92 C ATOM 370 CD GLN A 24 7.840 11.412 -6.600 1.00 0.70 C ATOM 371 OE1 GLN A 24 8.239 12.095 -7.523 1.00 2.29 O ATOM 372 NE2 GLN A 24 8.573 11.271 -5.529 1.00 1.02 N ATOM 0 H GLN A 24 4.636 8.420 -8.169 1.00 0.61 H new ATOM 0 HA GLN A 24 7.265 9.614 -8.872 1.00 0.59 H new ATOM 0 HB2 GLN A 24 5.892 8.660 -6.335 1.00 0.64 H new ATOM 0 HB3 GLN A 24 7.627 8.905 -6.360 1.00 0.64 H new ATOM 0 HG2 GLN A 24 5.911 11.098 -7.522 1.00 0.92 H new ATOM 0 HG3 GLN A 24 5.903 10.916 -5.779 1.00 0.92 H new ATOM 0 HE21 GLN A 24 8.239 10.698 -4.754 1.00 1.02 H new ATOM 0 HE22 GLN A 24 9.480 11.734 -5.467 1.00 1.02 H new ATOM 381 N LYS A 25 8.705 7.508 -8.738 1.00 0.50 N ATOM 382 CA LYS A 25 9.441 6.226 -8.927 1.00 0.49 C ATOM 383 C LYS A 25 10.865 6.370 -8.385 1.00 0.62 C ATOM 384 O LYS A 25 11.478 7.413 -8.495 1.00 1.25 O ATOM 385 CB LYS A 25 9.494 5.883 -10.417 1.00 0.43 C ATOM 386 CG LYS A 25 8.178 5.224 -10.838 1.00 0.65 C ATOM 387 CD LYS A 25 8.240 4.861 -12.322 1.00 0.76 C ATOM 388 CE LYS A 25 6.869 4.365 -12.785 1.00 1.72 C ATOM 389 NZ LYS A 25 6.248 5.383 -13.679 1.00 1.06 N ATOM 0 H LYS A 25 9.277 8.350 -8.803 1.00 0.50 H new ATOM 0 HA LYS A 25 8.927 5.429 -8.389 1.00 0.49 H new ATOM 0 HB2 LYS A 25 9.664 6.786 -11.003 1.00 0.43 H new ATOM 0 HB3 LYS A 25 10.329 5.212 -10.617 1.00 0.43 H new ATOM 0 HG2 LYS A 25 8.000 4.329 -10.241 1.00 0.65 H new ATOM 0 HG3 LYS A 25 7.344 5.902 -10.653 1.00 0.65 H new ATOM 0 HD2 LYS A 25 8.541 5.730 -12.907 1.00 0.76 H new ATOM 0 HD3 LYS A 25 8.992 4.090 -12.487 1.00 0.76 H new ATOM 0 HE2 LYS A 25 6.973 3.417 -13.313 1.00 1.72 H new ATOM 0 HE3 LYS A 25 6.227 4.182 -11.924 1.00 1.72 H new ATOM 0 HZ1 LYS A 25 5.316 5.046 -13.994 1.00 1.06 H new ATOM 0 HZ2 LYS A 25 6.136 6.278 -13.161 1.00 1.06 H new ATOM 0 HZ3 LYS A 25 6.858 5.537 -14.507 1.00 1.06 H new ATOM 403 N THR A 26 11.395 5.330 -7.802 1.00 0.12 N ATOM 404 CA THR A 26 12.779 5.406 -7.255 1.00 0.16 C ATOM 405 C THR A 26 13.457 4.041 -7.391 1.00 0.18 C ATOM 406 O THR A 26 12.974 3.165 -8.080 1.00 0.27 O ATOM 407 CB THR A 26 12.722 5.803 -5.777 1.00 0.21 C ATOM 408 OG1 THR A 26 12.026 4.802 -5.047 1.00 0.48 O ATOM 409 CG2 THR A 26 11.995 7.140 -5.633 1.00 0.28 C ATOM 0 H THR A 26 10.929 4.431 -7.681 1.00 0.12 H new ATOM 0 HA THR A 26 13.349 6.151 -7.810 1.00 0.16 H new ATOM 0 HB THR A 26 13.735 5.900 -5.387 1.00 0.21 H new ATOM 0 HG1 THR A 26 11.990 5.053 -4.100 1.00 0.48 H new ATOM 0 HG21 THR A 26 11.955 7.421 -4.581 1.00 0.28 H new ATOM 0 HG22 THR A 26 12.529 7.907 -6.194 1.00 0.28 H new ATOM 0 HG23 THR A 26 10.981 7.047 -6.022 1.00 0.28 H new ATOM 417 N LEU A 27 14.572 3.854 -6.740 1.00 0.36 N ATOM 418 CA LEU A 27 15.277 2.545 -6.835 1.00 0.44 C ATOM 419 C LEU A 27 14.615 1.543 -5.886 1.00 0.34 C ATOM 420 O LEU A 27 14.727 0.345 -6.056 1.00 0.27 O ATOM 421 CB LEU A 27 16.754 2.735 -6.460 1.00 0.63 C ATOM 422 CG LEU A 27 16.922 2.733 -4.931 1.00 0.56 C ATOM 423 CD1 LEU A 27 17.099 1.300 -4.394 1.00 0.38 C ATOM 424 CD2 LEU A 27 18.157 3.558 -4.564 1.00 0.78 C ATOM 0 H LEU A 27 15.025 4.550 -6.147 1.00 0.36 H new ATOM 0 HA LEU A 27 15.215 2.163 -7.854 1.00 0.44 H new ATOM 0 HB2 LEU A 27 17.353 1.937 -6.899 1.00 0.63 H new ATOM 0 HB3 LEU A 27 17.123 3.674 -6.872 1.00 0.63 H new ATOM 0 HG LEU A 27 16.026 3.163 -4.484 1.00 0.56 H new ATOM 0 HD11 LEU A 27 17.216 1.329 -3.311 1.00 0.38 H new ATOM 0 HD12 LEU A 27 16.222 0.705 -4.649 1.00 0.38 H new ATOM 0 HD13 LEU A 27 17.985 0.850 -4.842 1.00 0.38 H new ATOM 0 HD21 LEU A 27 18.283 3.562 -3.481 1.00 0.78 H new ATOM 0 HD22 LEU A 27 19.039 3.120 -5.031 1.00 0.78 H new ATOM 0 HD23 LEU A 27 18.030 4.581 -4.918 1.00 0.78 H new ATOM 436 N CYS A 28 13.923 2.023 -4.889 1.00 0.36 N ATOM 437 CA CYS A 28 13.253 1.097 -3.933 1.00 0.29 C ATOM 438 C CYS A 28 12.166 0.309 -4.665 1.00 0.26 C ATOM 439 O CYS A 28 11.456 -0.482 -4.077 1.00 0.23 O ATOM 440 CB CYS A 28 12.620 1.906 -2.798 1.00 0.35 C ATOM 441 SG CYS A 28 12.880 1.050 -1.225 1.00 0.35 S ATOM 0 H CYS A 28 13.793 3.016 -4.695 1.00 0.36 H new ATOM 0 HA CYS A 28 13.988 0.406 -3.520 1.00 0.29 H new ATOM 0 HB2 CYS A 28 13.060 2.902 -2.759 1.00 0.35 H new ATOM 0 HB3 CYS A 28 11.553 2.036 -2.981 1.00 0.35 H new ATOM 446 N THR A 29 12.029 0.517 -5.946 1.00 0.30 N ATOM 447 CA THR A 29 10.988 -0.220 -6.715 1.00 0.30 C ATOM 448 C THR A 29 11.574 -1.537 -7.232 1.00 0.29 C ATOM 449 O THR A 29 10.874 -2.367 -7.775 1.00 0.49 O ATOM 450 CB THR A 29 10.528 0.633 -7.899 1.00 0.38 C ATOM 451 OG1 THR A 29 11.643 0.930 -8.729 1.00 0.48 O ATOM 452 CG2 THR A 29 9.910 1.934 -7.385 1.00 0.36 C ATOM 0 H THR A 29 12.594 1.166 -6.493 1.00 0.30 H new ATOM 0 HA THR A 29 10.137 -0.430 -6.067 1.00 0.30 H new ATOM 0 HB THR A 29 9.783 0.084 -8.474 1.00 0.38 H new ATOM 0 HG1 THR A 29 12.086 1.741 -8.403 1.00 0.48 H new ATOM 0 HG21 THR A 29 9.583 2.540 -8.230 1.00 0.36 H new ATOM 0 HG22 THR A 29 9.054 1.704 -6.750 1.00 0.36 H new ATOM 0 HG23 THR A 29 10.652 2.486 -6.808 1.00 0.36 H new ATOM 460 N GLU A 30 12.853 -1.732 -7.067 1.00 0.43 N ATOM 461 CA GLU A 30 13.481 -2.995 -7.550 1.00 0.38 C ATOM 462 C GLU A 30 13.379 -4.064 -6.461 1.00 0.34 C ATOM 463 O GLU A 30 13.782 -5.194 -6.647 1.00 0.36 O ATOM 464 CB GLU A 30 14.954 -2.739 -7.876 1.00 0.39 C ATOM 465 CG GLU A 30 15.062 -2.010 -9.217 1.00 0.48 C ATOM 466 CD GLU A 30 15.242 -3.033 -10.340 1.00 0.52 C ATOM 467 OE1 GLU A 30 14.248 -3.600 -10.763 1.00 1.63 O ATOM 468 OE2 GLU A 30 16.371 -3.231 -10.759 1.00 1.12 O ATOM 0 H GLU A 30 13.490 -1.073 -6.619 1.00 0.43 H new ATOM 0 HA GLU A 30 12.964 -3.338 -8.446 1.00 0.38 H new ATOM 0 HB2 GLU A 30 15.413 -2.142 -7.088 1.00 0.39 H new ATOM 0 HB3 GLU A 30 15.497 -3.683 -7.919 1.00 0.39 H new ATOM 0 HG2 GLU A 30 14.166 -1.415 -9.393 1.00 0.48 H new ATOM 0 HG3 GLU A 30 15.905 -1.319 -9.201 1.00 0.48 H new ATOM 475 N LEU A 31 12.841 -3.715 -5.323 1.00 0.30 N ATOM 476 CA LEU A 31 12.712 -4.713 -4.224 1.00 0.27 C ATOM 477 C LEU A 31 11.428 -5.524 -4.418 1.00 0.26 C ATOM 478 O LEU A 31 10.386 -4.987 -4.736 1.00 0.51 O ATOM 479 CB LEU A 31 12.657 -3.985 -2.879 1.00 0.37 C ATOM 480 CG LEU A 31 13.807 -2.980 -2.794 1.00 0.42 C ATOM 481 CD1 LEU A 31 13.792 -2.304 -1.422 1.00 0.53 C ATOM 482 CD2 LEU A 31 15.138 -3.711 -2.987 1.00 0.37 C ATOM 0 H LEU A 31 12.486 -2.783 -5.108 1.00 0.30 H new ATOM 0 HA LEU A 31 13.571 -5.384 -4.240 1.00 0.27 H new ATOM 0 HB2 LEU A 31 11.702 -3.471 -2.771 1.00 0.37 H new ATOM 0 HB3 LEU A 31 12.727 -4.703 -2.062 1.00 0.37 H new ATOM 0 HG LEU A 31 13.690 -2.226 -3.573 1.00 0.42 H new ATOM 0 HD11 LEU A 31 14.611 -1.588 -1.360 1.00 0.53 H new ATOM 0 HD12 LEU A 31 12.844 -1.784 -1.283 1.00 0.53 H new ATOM 0 HD13 LEU A 31 13.910 -3.058 -0.644 1.00 0.53 H new ATOM 0 HD21 LEU A 31 15.958 -2.996 -2.927 1.00 0.37 H new ATOM 0 HD22 LEU A 31 15.256 -4.464 -2.208 1.00 0.37 H new ATOM 0 HD23 LEU A 31 15.149 -4.194 -3.964 1.00 0.37 H new ATOM 494 N THR A 32 11.497 -6.813 -4.229 1.00 0.19 N ATOM 495 CA THR A 32 10.280 -7.656 -4.403 1.00 0.12 C ATOM 496 C THR A 32 9.493 -7.692 -3.091 1.00 0.10 C ATOM 497 O THR A 32 9.988 -8.129 -2.071 1.00 0.08 O ATOM 498 CB THR A 32 10.696 -9.078 -4.787 1.00 0.11 C ATOM 499 OG1 THR A 32 11.341 -9.696 -3.681 1.00 0.46 O ATOM 500 CG2 THR A 32 11.655 -9.028 -5.976 1.00 0.50 C ATOM 0 H THR A 32 12.342 -7.319 -3.962 1.00 0.19 H new ATOM 0 HA THR A 32 9.655 -7.235 -5.190 1.00 0.12 H new ATOM 0 HB THR A 32 9.812 -9.654 -5.061 1.00 0.11 H new ATOM 0 HG1 THR A 32 11.094 -9.229 -2.856 1.00 0.46 H new ATOM 0 HG21 THR A 32 11.950 -10.041 -6.248 1.00 0.50 H new ATOM 0 HG22 THR A 32 11.159 -8.554 -6.823 1.00 0.50 H new ATOM 0 HG23 THR A 32 12.540 -8.452 -5.705 1.00 0.50 H new ATOM 508 N VAL A 33 8.271 -7.235 -3.109 1.00 0.16 N ATOM 509 CA VAL A 33 7.455 -7.243 -1.863 1.00 0.23 C ATOM 510 C VAL A 33 6.706 -8.573 -1.753 1.00 0.22 C ATOM 511 O VAL A 33 6.361 -9.186 -2.743 1.00 0.46 O ATOM 512 CB VAL A 33 6.448 -6.092 -1.906 1.00 0.26 C ATOM 513 CG1 VAL A 33 7.179 -4.783 -2.205 1.00 0.24 C ATOM 514 CG2 VAL A 33 5.415 -6.360 -3.003 1.00 0.38 C ATOM 0 H VAL A 33 7.803 -6.857 -3.932 1.00 0.16 H new ATOM 0 HA VAL A 33 8.109 -7.122 -0.999 1.00 0.23 H new ATOM 0 HB VAL A 33 5.945 -6.014 -0.942 1.00 0.26 H new ATOM 0 HG11 VAL A 33 6.461 -3.964 -2.235 1.00 0.24 H new ATOM 0 HG12 VAL A 33 7.915 -4.591 -1.425 1.00 0.24 H new ATOM 0 HG13 VAL A 33 7.683 -4.860 -3.168 1.00 0.24 H new ATOM 0 HG21 VAL A 33 4.697 -5.541 -3.035 1.00 0.38 H new ATOM 0 HG22 VAL A 33 5.919 -6.438 -3.966 1.00 0.38 H new ATOM 0 HG23 VAL A 33 4.892 -7.293 -2.790 1.00 0.38 H new ATOM 524 N THR A 34 6.450 -9.023 -0.555 1.00 0.53 N ATOM 525 CA THR A 34 5.724 -10.313 -0.383 1.00 0.58 C ATOM 526 C THR A 34 4.323 -10.192 -0.986 1.00 0.58 C ATOM 527 O THR A 34 3.445 -9.571 -0.420 1.00 0.68 O ATOM 528 CB THR A 34 5.613 -10.641 1.107 1.00 0.64 C ATOM 529 OG1 THR A 34 6.907 -10.905 1.630 1.00 0.67 O ATOM 530 CG2 THR A 34 4.724 -11.872 1.295 1.00 0.67 C ATOM 0 H THR A 34 6.712 -8.553 0.312 1.00 0.53 H new ATOM 0 HA THR A 34 6.270 -11.109 -0.889 1.00 0.58 H new ATOM 0 HB THR A 34 5.174 -9.794 1.634 1.00 0.64 H new ATOM 0 HG1 THR A 34 6.838 -11.114 2.585 1.00 0.67 H new ATOM 0 HG21 THR A 34 4.645 -12.105 2.357 1.00 0.67 H new ATOM 0 HG22 THR A 34 3.731 -11.669 0.894 1.00 0.67 H new ATOM 0 HG23 THR A 34 5.161 -12.720 0.769 1.00 0.67 H new ATOM 538 N ASP A 35 4.105 -10.782 -2.128 1.00 0.68 N ATOM 539 CA ASP A 35 2.760 -10.701 -2.764 1.00 0.66 C ATOM 540 C ASP A 35 1.687 -11.057 -1.733 1.00 0.71 C ATOM 541 O ASP A 35 1.985 -11.429 -0.615 1.00 1.11 O ATOM 542 CB ASP A 35 2.688 -11.685 -3.935 1.00 0.61 C ATOM 543 CG ASP A 35 1.445 -11.388 -4.776 1.00 0.58 C ATOM 544 OD1 ASP A 35 1.056 -10.233 -4.835 1.00 1.19 O ATOM 545 OD2 ASP A 35 0.904 -12.320 -5.346 1.00 1.18 O ATOM 0 H ASP A 35 4.800 -11.317 -2.649 1.00 0.68 H new ATOM 0 HA ASP A 35 2.592 -9.688 -3.130 1.00 0.66 H new ATOM 0 HB2 ASP A 35 3.584 -11.601 -4.550 1.00 0.61 H new ATOM 0 HB3 ASP A 35 2.652 -12.709 -3.562 1.00 0.61 H new ATOM 550 N ILE A 36 0.439 -10.945 -2.100 1.00 0.57 N ATOM 551 CA ILE A 36 -0.653 -11.277 -1.140 1.00 0.56 C ATOM 552 C ILE A 36 -1.839 -11.870 -1.903 1.00 0.54 C ATOM 553 O ILE A 36 -2.526 -12.745 -1.416 1.00 0.61 O ATOM 554 CB ILE A 36 -1.096 -10.005 -0.414 1.00 0.61 C ATOM 555 CG1 ILE A 36 -1.622 -8.992 -1.435 1.00 0.65 C ATOM 556 CG2 ILE A 36 0.094 -9.403 0.334 1.00 0.67 C ATOM 557 CD1 ILE A 36 -1.874 -7.653 -0.741 1.00 0.75 C ATOM 0 H ILE A 36 0.128 -10.638 -3.022 1.00 0.57 H new ATOM 0 HA ILE A 36 -0.291 -12.003 -0.412 1.00 0.56 H new ATOM 0 HB ILE A 36 -1.886 -10.249 0.297 1.00 0.61 H new ATOM 0 HG12 ILE A 36 -0.901 -8.865 -2.242 1.00 0.65 H new ATOM 0 HG13 ILE A 36 -2.544 -9.359 -1.886 1.00 0.65 H new ATOM 0 HG21 ILE A 36 -0.222 -8.497 0.851 1.00 0.67 H new ATOM 0 HG22 ILE A 36 0.469 -10.123 1.061 1.00 0.67 H new ATOM 0 HG23 ILE A 36 0.884 -9.159 -0.376 1.00 0.67 H new ATOM 0 HD11 ILE A 36 -2.248 -6.932 -1.467 1.00 0.75 H new ATOM 0 HD12 ILE A 36 -2.611 -7.787 0.051 1.00 0.75 H new ATOM 0 HD13 ILE A 36 -0.942 -7.285 -0.311 1.00 0.75 H new ATOM 569 N PHE A 37 -2.085 -11.401 -3.094 1.00 0.46 N ATOM 570 CA PHE A 37 -3.227 -11.939 -3.887 1.00 0.46 C ATOM 571 C PHE A 37 -2.852 -13.307 -4.458 1.00 0.49 C ATOM 572 O PHE A 37 -3.686 -14.029 -4.966 1.00 0.52 O ATOM 573 CB PHE A 37 -3.550 -10.978 -5.033 1.00 0.41 C ATOM 574 CG PHE A 37 -3.803 -9.598 -4.477 1.00 0.30 C ATOM 575 CD1 PHE A 37 -5.029 -9.300 -3.871 1.00 0.36 C ATOM 576 CD2 PHE A 37 -2.810 -8.614 -4.567 1.00 0.17 C ATOM 577 CE1 PHE A 37 -5.263 -8.020 -3.355 1.00 0.36 C ATOM 578 CE2 PHE A 37 -3.044 -7.333 -4.052 1.00 0.13 C ATOM 579 CZ PHE A 37 -4.271 -7.036 -3.446 1.00 0.27 C ATOM 0 H PHE A 37 -1.545 -10.668 -3.554 1.00 0.46 H new ATOM 0 HA PHE A 37 -4.100 -12.042 -3.243 1.00 0.46 H new ATOM 0 HB2 PHE A 37 -2.723 -10.950 -5.742 1.00 0.41 H new ATOM 0 HB3 PHE A 37 -4.426 -11.328 -5.579 1.00 0.41 H new ATOM 0 HD1 PHE A 37 -5.795 -10.058 -3.801 1.00 0.36 H new ATOM 0 HD2 PHE A 37 -1.864 -8.843 -5.034 1.00 0.17 H new ATOM 0 HE1 PHE A 37 -6.209 -7.791 -2.887 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -2.278 -6.574 -4.122 1.00 0.13 H new ATOM 0 HZ PHE A 37 -4.452 -6.048 -3.049 1.00 0.27 H new ATOM 589 N ALA A 38 -1.601 -13.671 -4.380 1.00 0.52 N ATOM 590 CA ALA A 38 -1.173 -14.993 -4.918 1.00 0.55 C ATOM 591 C ALA A 38 -1.587 -16.099 -3.946 1.00 0.60 C ATOM 592 O ALA A 38 -1.147 -17.226 -4.049 1.00 0.69 O ATOM 593 CB ALA A 38 0.348 -15.006 -5.088 1.00 0.57 C ATOM 0 H ALA A 38 -0.857 -13.109 -3.967 1.00 0.52 H new ATOM 0 HA ALA A 38 -1.649 -15.163 -5.884 1.00 0.55 H new ATOM 0 HB1 ALA A 38 0.662 -15.973 -5.482 1.00 0.57 H new ATOM 0 HB2 ALA A 38 0.643 -14.219 -5.782 1.00 0.57 H new ATOM 0 HB3 ALA A 38 0.824 -14.836 -4.122 1.00 0.57 H new ATOM 599 N ALA A 39 -2.432 -15.784 -3.001 1.00 0.55 N ATOM 600 CA ALA A 39 -2.873 -16.819 -2.024 1.00 0.60 C ATOM 601 C ALA A 39 -4.245 -16.438 -1.464 1.00 0.53 C ATOM 602 O ALA A 39 -4.713 -17.009 -0.499 1.00 0.65 O ATOM 603 CB ALA A 39 -1.861 -16.905 -0.880 1.00 0.61 C ATOM 0 H ALA A 39 -2.835 -14.857 -2.864 1.00 0.55 H new ATOM 0 HA ALA A 39 -2.939 -17.786 -2.523 1.00 0.60 H new ATOM 0 HB1 ALA A 39 -2.183 -17.662 -0.165 1.00 0.61 H new ATOM 0 HB2 ALA A 39 -0.883 -17.175 -1.279 1.00 0.61 H new ATOM 0 HB3 ALA A 39 -1.794 -15.939 -0.380 1.00 0.61 H new ATOM 609 N SER A 40 -4.894 -15.475 -2.061 1.00 0.81 N ATOM 610 CA SER A 40 -6.234 -15.059 -1.561 1.00 0.74 C ATOM 611 C SER A 40 -7.266 -16.132 -1.914 1.00 0.79 C ATOM 612 O SER A 40 -7.364 -16.566 -3.045 1.00 1.19 O ATOM 613 CB SER A 40 -6.633 -13.736 -2.214 1.00 0.76 C ATOM 614 OG SER A 40 -7.877 -13.303 -1.678 1.00 0.46 O ATOM 0 H SER A 40 -4.554 -14.959 -2.873 1.00 0.81 H new ATOM 0 HA SER A 40 -6.195 -14.934 -0.479 1.00 0.74 H new ATOM 0 HB2 SER A 40 -5.865 -12.983 -2.035 1.00 0.76 H new ATOM 0 HB3 SER A 40 -6.713 -13.860 -3.294 1.00 0.76 H new ATOM 0 HG SER A 40 -7.882 -13.444 -0.708 1.00 0.46 H new ATOM 620 N LYS A 41 -8.037 -16.566 -0.954 1.00 0.63 N ATOM 621 CA LYS A 41 -9.061 -17.611 -1.235 1.00 0.67 C ATOM 622 C LYS A 41 -10.259 -17.415 -0.304 1.00 0.55 C ATOM 623 O LYS A 41 -11.268 -16.856 -0.683 1.00 0.65 O ATOM 624 CB LYS A 41 -8.454 -18.996 -1.002 1.00 0.74 C ATOM 625 CG LYS A 41 -8.033 -19.602 -2.343 1.00 1.16 C ATOM 626 CD LYS A 41 -7.374 -20.962 -2.104 1.00 1.10 C ATOM 627 CE LYS A 41 -6.893 -21.538 -3.437 1.00 2.34 C ATOM 628 NZ LYS A 41 -6.721 -23.012 -3.309 1.00 2.66 N ATOM 0 H LYS A 41 -8.002 -16.242 0.012 1.00 0.63 H new ATOM 0 HA LYS A 41 -9.389 -17.528 -2.271 1.00 0.67 H new ATOM 0 HB2 LYS A 41 -7.592 -18.920 -0.339 1.00 0.74 H new ATOM 0 HB3 LYS A 41 -9.179 -19.644 -0.510 1.00 0.74 H new ATOM 0 HG2 LYS A 41 -8.902 -19.716 -2.991 1.00 1.16 H new ATOM 0 HG3 LYS A 41 -7.339 -18.935 -2.854 1.00 1.16 H new ATOM 0 HD2 LYS A 41 -6.534 -20.855 -1.418 1.00 1.10 H new ATOM 0 HD3 LYS A 41 -8.083 -21.644 -1.636 1.00 1.10 H new ATOM 0 HE2 LYS A 41 -7.613 -21.312 -4.224 1.00 2.34 H new ATOM 0 HE3 LYS A 41 -5.950 -21.075 -3.726 1.00 2.34 H new ATOM 0 HZ1 LYS A 41 -6.394 -23.403 -4.215 1.00 2.66 H new ATOM 0 HZ2 LYS A 41 -6.019 -23.217 -2.570 1.00 2.66 H new ATOM 0 HZ3 LYS A 41 -7.630 -23.447 -3.052 1.00 2.66 H new ATOM 642 N ASP A 42 -10.155 -17.873 0.915 1.00 0.38 N ATOM 643 CA ASP A 42 -11.288 -17.713 1.869 1.00 0.30 C ATOM 644 C ASP A 42 -11.101 -16.423 2.670 1.00 0.26 C ATOM 645 O ASP A 42 -11.754 -16.203 3.672 1.00 0.34 O ATOM 646 CB ASP A 42 -11.321 -18.907 2.826 1.00 0.36 C ATOM 647 CG ASP A 42 -9.972 -19.031 3.535 1.00 1.56 C ATOM 648 OD1 ASP A 42 -9.516 -18.036 4.077 1.00 2.52 O ATOM 649 OD2 ASP A 42 -9.417 -20.117 3.526 1.00 1.94 O ATOM 0 H ASP A 42 -9.335 -18.350 1.290 1.00 0.38 H new ATOM 0 HA ASP A 42 -12.226 -17.665 1.315 1.00 0.30 H new ATOM 0 HB2 ASP A 42 -12.118 -18.778 3.558 1.00 0.36 H new ATOM 0 HB3 ASP A 42 -11.540 -19.822 2.275 1.00 0.36 H new ATOM 654 N THR A 43 -10.216 -15.567 2.237 1.00 0.27 N ATOM 655 CA THR A 43 -9.988 -14.293 2.974 1.00 0.23 C ATOM 656 C THR A 43 -10.882 -13.198 2.387 1.00 0.31 C ATOM 657 O THR A 43 -10.815 -12.892 1.213 1.00 0.72 O ATOM 658 CB THR A 43 -8.521 -13.880 2.840 1.00 0.27 C ATOM 659 OG1 THR A 43 -8.227 -13.617 1.476 1.00 0.41 O ATOM 660 CG2 THR A 43 -7.623 -15.009 3.349 1.00 0.33 C ATOM 0 H THR A 43 -9.641 -15.695 1.404 1.00 0.27 H new ATOM 0 HA THR A 43 -10.230 -14.435 4.027 1.00 0.23 H new ATOM 0 HB THR A 43 -8.341 -12.981 3.430 1.00 0.27 H new ATOM 0 HG1 THR A 43 -9.023 -13.255 1.034 1.00 0.41 H new ATOM 0 HG21 THR A 43 -6.578 -14.714 3.253 1.00 0.33 H new ATOM 0 HG22 THR A 43 -7.849 -15.210 4.396 1.00 0.33 H new ATOM 0 HG23 THR A 43 -7.801 -15.909 2.761 1.00 0.33 H new ATOM 668 N THR A 44 -11.718 -12.605 3.194 1.00 0.11 N ATOM 669 CA THR A 44 -12.614 -11.531 2.681 1.00 0.08 C ATOM 670 C THR A 44 -11.814 -10.238 2.508 1.00 0.11 C ATOM 671 O THR A 44 -10.636 -10.183 2.800 1.00 0.28 O ATOM 672 CB THR A 44 -13.753 -11.297 3.677 1.00 0.12 C ATOM 673 OG1 THR A 44 -13.208 -10.969 4.947 1.00 0.30 O ATOM 674 CG2 THR A 44 -14.599 -12.566 3.795 1.00 0.59 C ATOM 0 H THR A 44 -11.819 -12.818 4.186 1.00 0.11 H new ATOM 0 HA THR A 44 -13.029 -11.833 1.719 1.00 0.08 H new ATOM 0 HB THR A 44 -14.380 -10.477 3.327 1.00 0.12 H new ATOM 0 HG1 THR A 44 -13.935 -10.817 5.586 1.00 0.30 H new ATOM 0 HG21 THR A 44 -15.409 -12.398 4.504 1.00 0.59 H new ATOM 0 HG22 THR A 44 -15.016 -12.817 2.820 1.00 0.59 H new ATOM 0 HG23 THR A 44 -13.975 -13.388 4.145 1.00 0.59 H new ATOM 682 N GLU A 45 -12.444 -9.198 2.037 1.00 0.14 N ATOM 683 CA GLU A 45 -11.717 -7.911 1.846 1.00 0.16 C ATOM 684 C GLU A 45 -11.082 -7.483 3.171 1.00 0.16 C ATOM 685 O GLU A 45 -9.992 -6.950 3.204 1.00 0.25 O ATOM 686 CB GLU A 45 -12.700 -6.833 1.380 1.00 0.20 C ATOM 687 CG GLU A 45 -13.787 -7.473 0.514 1.00 0.29 C ATOM 688 CD GLU A 45 -14.943 -7.935 1.404 1.00 1.12 C ATOM 689 OE1 GLU A 45 -14.704 -8.171 2.577 1.00 2.34 O ATOM 690 OE2 GLU A 45 -16.047 -8.044 0.897 1.00 1.42 O ATOM 0 H GLU A 45 -13.430 -9.183 1.776 1.00 0.14 H new ATOM 0 HA GLU A 45 -10.938 -8.042 1.095 1.00 0.16 H new ATOM 0 HB2 GLU A 45 -13.150 -6.340 2.241 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -12.173 -6.066 0.813 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -14.147 -6.757 -0.225 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -13.377 -8.320 -0.036 1.00 0.29 H new ATOM 697 N LYS A 46 -11.757 -7.713 4.264 1.00 0.12 N ATOM 698 CA LYS A 46 -11.190 -7.320 5.585 1.00 0.21 C ATOM 699 C LYS A 46 -9.741 -7.803 5.683 1.00 0.09 C ATOM 700 O LYS A 46 -8.825 -7.020 5.839 1.00 0.15 O ATOM 701 CB LYS A 46 -12.017 -7.956 6.705 1.00 0.36 C ATOM 702 CG LYS A 46 -13.235 -7.080 7.002 1.00 0.37 C ATOM 703 CD LYS A 46 -12.894 -6.093 8.120 1.00 0.58 C ATOM 704 CE LYS A 46 -14.078 -5.153 8.351 1.00 0.51 C ATOM 705 NZ LYS A 46 -13.760 -3.808 7.795 1.00 1.71 N ATOM 0 H LYS A 46 -12.675 -8.155 4.299 1.00 0.12 H new ATOM 0 HA LYS A 46 -11.218 -6.235 5.684 1.00 0.21 H new ATOM 0 HB2 LYS A 46 -12.338 -8.956 6.412 1.00 0.36 H new ATOM 0 HB3 LYS A 46 -11.408 -8.067 7.602 1.00 0.36 H new ATOM 0 HG2 LYS A 46 -13.535 -6.539 6.104 1.00 0.37 H new ATOM 0 HG3 LYS A 46 -14.080 -7.702 7.297 1.00 0.37 H new ATOM 0 HD2 LYS A 46 -12.661 -6.633 9.038 1.00 0.58 H new ATOM 0 HD3 LYS A 46 -12.007 -5.519 7.854 1.00 0.58 H new ATOM 0 HE2 LYS A 46 -14.972 -5.553 7.874 1.00 0.51 H new ATOM 0 HE3 LYS A 46 -14.293 -5.076 9.417 1.00 0.51 H new ATOM 0 HZ1 LYS A 46 -14.565 -3.168 7.952 1.00 1.71 H new ATOM 0 HZ2 LYS A 46 -12.917 -3.427 8.270 1.00 1.71 H new ATOM 0 HZ3 LYS A 46 -13.576 -3.889 6.775 1.00 1.71 H new ATOM 719 N GLU A 47 -9.528 -9.086 5.594 1.00 0.10 N ATOM 720 CA GLU A 47 -8.139 -9.618 5.683 1.00 0.16 C ATOM 721 C GLU A 47 -7.309 -9.075 4.517 1.00 0.20 C ATOM 722 O GLU A 47 -6.139 -8.779 4.661 1.00 0.53 O ATOM 723 CB GLU A 47 -8.173 -11.146 5.614 1.00 0.29 C ATOM 724 CG GLU A 47 -8.204 -11.720 7.033 1.00 0.78 C ATOM 725 CD GLU A 47 -8.754 -13.148 6.995 1.00 1.05 C ATOM 726 OE1 GLU A 47 -9.777 -13.350 6.360 1.00 2.05 O ATOM 727 OE2 GLU A 47 -8.143 -14.013 7.600 1.00 1.65 O ATOM 0 H GLU A 47 -10.255 -9.789 5.464 1.00 0.10 H new ATOM 0 HA GLU A 47 -7.690 -9.306 6.626 1.00 0.16 H new ATOM 0 HB2 GLU A 47 -9.050 -11.476 5.057 1.00 0.29 H new ATOM 0 HB3 GLU A 47 -7.298 -11.516 5.079 1.00 0.29 H new ATOM 0 HG2 GLU A 47 -7.201 -11.717 7.460 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -8.826 -11.097 7.675 1.00 0.78 H new ATOM 734 N THR A 48 -7.904 -8.940 3.364 1.00 0.19 N ATOM 735 CA THR A 48 -7.150 -8.417 2.192 1.00 0.12 C ATOM 736 C THR A 48 -6.506 -7.076 2.555 1.00 0.06 C ATOM 737 O THR A 48 -5.349 -6.836 2.274 1.00 0.21 O ATOM 738 CB THR A 48 -8.107 -8.219 1.014 1.00 0.10 C ATOM 739 OG1 THR A 48 -8.978 -9.338 0.923 1.00 0.14 O ATOM 740 CG2 THR A 48 -7.306 -8.087 -0.282 1.00 0.11 C ATOM 0 H THR A 48 -8.881 -9.170 3.183 1.00 0.19 H new ATOM 0 HA THR A 48 -6.374 -9.130 1.914 1.00 0.12 H new ATOM 0 HB THR A 48 -8.692 -7.312 1.169 1.00 0.10 H new ATOM 0 HG1 THR A 48 -9.622 -9.312 1.661 1.00 0.14 H new ATOM 0 HG21 THR A 48 -7.989 -7.946 -1.119 1.00 0.11 H new ATOM 0 HG22 THR A 48 -6.638 -7.229 -0.211 1.00 0.11 H new ATOM 0 HG23 THR A 48 -6.719 -8.992 -0.441 1.00 0.11 H new ATOM 748 N PHE A 49 -7.247 -6.201 3.178 1.00 0.15 N ATOM 749 CA PHE A 49 -6.677 -4.879 3.559 1.00 0.21 C ATOM 750 C PHE A 49 -5.576 -5.077 4.602 1.00 0.14 C ATOM 751 O PHE A 49 -4.555 -4.418 4.573 1.00 0.11 O ATOM 752 CB PHE A 49 -7.781 -3.996 4.144 1.00 0.35 C ATOM 753 CG PHE A 49 -8.805 -3.692 3.075 1.00 0.31 C ATOM 754 CD1 PHE A 49 -8.447 -2.919 1.964 1.00 0.38 C ATOM 755 CD2 PHE A 49 -10.111 -4.185 3.193 1.00 0.27 C ATOM 756 CE1 PHE A 49 -9.393 -2.636 0.973 1.00 0.42 C ATOM 757 CE2 PHE A 49 -11.058 -3.901 2.200 1.00 0.25 C ATOM 758 CZ PHE A 49 -10.699 -3.127 1.090 1.00 0.35 C ATOM 0 H PHE A 49 -8.222 -6.345 3.439 1.00 0.15 H new ATOM 0 HA PHE A 49 -6.257 -4.398 2.676 1.00 0.21 H new ATOM 0 HB2 PHE A 49 -8.257 -4.500 4.985 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -7.355 -3.069 4.528 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -7.440 -2.541 1.872 1.00 0.38 H new ATOM 0 HD2 PHE A 49 -10.388 -4.783 4.048 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -9.116 -2.038 0.117 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -12.065 -4.279 2.291 1.00 0.25 H new ATOM 0 HZ PHE A 49 -11.429 -2.909 0.325 1.00 0.35 H new ATOM 768 N CYS A 50 -5.774 -5.979 5.523 1.00 0.15 N ATOM 769 CA CYS A 50 -4.737 -6.218 6.567 1.00 0.11 C ATOM 770 C CYS A 50 -3.479 -6.794 5.915 1.00 0.07 C ATOM 771 O CYS A 50 -2.423 -6.192 5.944 1.00 0.09 O ATOM 772 CB CYS A 50 -5.273 -7.208 7.602 1.00 0.17 C ATOM 773 SG CYS A 50 -3.892 -7.904 8.542 1.00 0.21 S ATOM 0 H CYS A 50 -6.608 -6.561 5.598 1.00 0.15 H new ATOM 0 HA CYS A 50 -4.493 -5.276 7.058 1.00 0.11 H new ATOM 0 HB2 CYS A 50 -5.969 -6.706 8.275 1.00 0.17 H new ATOM 0 HB3 CYS A 50 -5.828 -8.005 7.106 1.00 0.17 H new ATOM 778 N ARG A 51 -3.581 -7.954 5.328 1.00 0.10 N ATOM 779 CA ARG A 51 -2.390 -8.569 4.676 1.00 0.11 C ATOM 780 C ARG A 51 -1.687 -7.524 3.805 1.00 0.16 C ATOM 781 O ARG A 51 -0.476 -7.456 3.757 1.00 0.23 O ATOM 782 CB ARG A 51 -2.836 -9.744 3.803 1.00 0.16 C ATOM 783 CG ARG A 51 -3.567 -10.776 4.669 1.00 0.31 C ATOM 784 CD ARG A 51 -3.276 -12.188 4.154 1.00 0.52 C ATOM 785 NE ARG A 51 -3.153 -12.175 2.659 1.00 1.09 N ATOM 786 CZ ARG A 51 -4.085 -11.655 1.906 1.00 2.27 C ATOM 787 NH1 ARG A 51 -5.233 -11.303 2.417 1.00 2.87 N ATOM 788 NH2 ARG A 51 -3.888 -11.541 0.620 1.00 3.47 N ATOM 0 H ARG A 51 -4.438 -8.504 5.271 1.00 0.10 H new ATOM 0 HA ARG A 51 -1.701 -8.926 5.442 1.00 0.11 H new ATOM 0 HB2 ARG A 51 -3.492 -9.391 3.007 1.00 0.16 H new ATOM 0 HB3 ARG A 51 -1.972 -10.203 3.323 1.00 0.16 H new ATOM 0 HG2 ARG A 51 -3.247 -10.685 5.707 1.00 0.31 H new ATOM 0 HG3 ARG A 51 -4.640 -10.586 4.649 1.00 0.31 H new ATOM 0 HD2 ARG A 51 -2.355 -12.564 4.599 1.00 0.52 H new ATOM 0 HD3 ARG A 51 -4.075 -12.865 4.455 1.00 0.52 H new ATOM 0 HE ARG A 51 -2.325 -12.580 2.222 1.00 1.09 H new ATOM 0 HH11 ARG A 51 -5.409 -11.433 3.413 1.00 2.87 H new ATOM 0 HH12 ARG A 51 -5.954 -10.898 1.820 1.00 2.87 H new ATOM 0 HH21 ARG A 51 -3.010 -11.857 0.209 1.00 3.47 H new ATOM 0 HH22 ARG A 51 -4.612 -11.136 0.027 1.00 3.47 H new ATOM 802 N ALA A 52 -2.440 -6.710 3.116 1.00 0.16 N ATOM 803 CA ALA A 52 -1.813 -5.671 2.250 1.00 0.20 C ATOM 804 C ALA A 52 -0.978 -4.722 3.111 1.00 0.18 C ATOM 805 O ALA A 52 0.185 -4.490 2.849 1.00 0.22 O ATOM 806 CB ALA A 52 -2.906 -4.879 1.530 1.00 0.23 C ATOM 0 H ALA A 52 -3.460 -6.719 3.115 1.00 0.16 H new ATOM 0 HA ALA A 52 -1.169 -6.153 1.514 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.448 -4.119 0.897 1.00 0.23 H new ATOM 0 HB2 ALA A 52 -3.499 -5.555 0.914 1.00 0.23 H new ATOM 0 HB3 ALA A 52 -3.551 -4.398 2.265 1.00 0.23 H new ATOM 812 N ALA A 53 -1.564 -4.169 4.139 1.00 0.18 N ATOM 813 CA ALA A 53 -0.803 -3.235 5.015 1.00 0.21 C ATOM 814 C ALA A 53 0.379 -3.973 5.646 1.00 0.19 C ATOM 815 O ALA A 53 1.461 -3.436 5.775 1.00 0.15 O ATOM 816 CB ALA A 53 -1.723 -2.708 6.119 1.00 0.25 C ATOM 0 H ALA A 53 -2.535 -4.324 4.409 1.00 0.18 H new ATOM 0 HA ALA A 53 -0.433 -2.400 4.420 1.00 0.21 H new ATOM 0 HB1 ALA A 53 -1.167 -2.024 6.761 1.00 0.25 H new ATOM 0 HB2 ALA A 53 -2.565 -2.181 5.670 1.00 0.25 H new ATOM 0 HB3 ALA A 53 -2.093 -3.543 6.713 1.00 0.25 H new ATOM 822 N THR A 54 0.182 -5.202 6.039 1.00 0.21 N ATOM 823 CA THR A 54 1.296 -5.972 6.659 1.00 0.21 C ATOM 824 C THR A 54 2.535 -5.875 5.769 1.00 0.17 C ATOM 825 O THR A 54 3.625 -5.602 6.231 1.00 0.18 O ATOM 826 CB THR A 54 0.884 -7.439 6.804 1.00 0.22 C ATOM 827 OG1 THR A 54 -0.355 -7.515 7.493 1.00 0.23 O ATOM 828 CG2 THR A 54 1.956 -8.197 7.589 1.00 0.23 C ATOM 0 H THR A 54 -0.701 -5.705 5.957 1.00 0.21 H new ATOM 0 HA THR A 54 1.521 -5.560 7.643 1.00 0.21 H new ATOM 0 HB THR A 54 0.778 -7.887 5.816 1.00 0.22 H new ATOM 0 HG1 THR A 54 -1.076 -7.211 6.903 1.00 0.23 H new ATOM 0 HG21 THR A 54 1.662 -9.241 7.692 1.00 0.23 H new ATOM 0 HG22 THR A 54 2.906 -8.138 7.058 1.00 0.23 H new ATOM 0 HG23 THR A 54 2.066 -7.752 8.578 1.00 0.23 H new ATOM 836 N VAL A 55 2.376 -6.093 4.492 1.00 0.15 N ATOM 837 CA VAL A 55 3.543 -6.011 3.570 1.00 0.13 C ATOM 838 C VAL A 55 4.099 -4.586 3.579 1.00 0.14 C ATOM 839 O VAL A 55 5.235 -4.354 3.947 1.00 0.12 O ATOM 840 CB VAL A 55 3.098 -6.376 2.153 1.00 0.13 C ATOM 841 CG1 VAL A 55 4.268 -6.188 1.185 1.00 0.11 C ATOM 842 CG2 VAL A 55 2.643 -7.837 2.123 1.00 0.19 C ATOM 0 H VAL A 55 1.488 -6.324 4.048 1.00 0.15 H new ATOM 0 HA VAL A 55 4.317 -6.705 3.898 1.00 0.13 H new ATOM 0 HB VAL A 55 2.272 -5.730 1.854 1.00 0.13 H new ATOM 0 HG11 VAL A 55 3.950 -6.448 0.175 1.00 0.11 H new ATOM 0 HG12 VAL A 55 4.594 -5.148 1.206 1.00 0.11 H new ATOM 0 HG13 VAL A 55 5.094 -6.833 1.483 1.00 0.11 H new ATOM 0 HG21 VAL A 55 2.326 -8.099 1.114 1.00 0.19 H new ATOM 0 HG22 VAL A 55 3.470 -8.482 2.422 1.00 0.19 H new ATOM 0 HG23 VAL A 55 1.809 -7.973 2.812 1.00 0.19 H new ATOM 852 N LEU A 56 3.309 -3.630 3.176 1.00 0.17 N ATOM 853 CA LEU A 56 3.791 -2.221 3.161 1.00 0.19 C ATOM 854 C LEU A 56 4.477 -1.905 4.493 1.00 0.18 C ATOM 855 O LEU A 56 5.380 -1.097 4.560 1.00 0.19 O ATOM 856 CB LEU A 56 2.605 -1.275 2.962 1.00 0.21 C ATOM 857 CG LEU A 56 1.826 -1.684 1.710 1.00 0.27 C ATOM 858 CD1 LEU A 56 0.634 -0.745 1.520 1.00 0.24 C ATOM 859 CD2 LEU A 56 2.742 -1.596 0.486 1.00 0.44 C ATOM 0 H LEU A 56 2.350 -3.764 2.856 1.00 0.17 H new ATOM 0 HA LEU A 56 4.500 -2.089 2.344 1.00 0.19 H new ATOM 0 HB2 LEU A 56 1.952 -1.305 3.835 1.00 0.21 H new ATOM 0 HB3 LEU A 56 2.958 -0.249 2.864 1.00 0.21 H new ATOM 0 HG LEU A 56 1.469 -2.707 1.825 1.00 0.27 H new ATOM 0 HD11 LEU A 56 0.080 -1.037 0.628 1.00 0.24 H new ATOM 0 HD12 LEU A 56 -0.020 -0.806 2.390 1.00 0.24 H new ATOM 0 HD13 LEU A 56 0.992 0.278 1.406 1.00 0.24 H new ATOM 0 HD21 LEU A 56 2.187 -1.887 -0.406 1.00 0.44 H new ATOM 0 HD22 LEU A 56 3.100 -0.573 0.372 1.00 0.44 H new ATOM 0 HD23 LEU A 56 3.592 -2.265 0.619 1.00 0.44 H new ATOM 871 N ARG A 57 4.057 -2.538 5.552 1.00 0.18 N ATOM 872 CA ARG A 57 4.688 -2.274 6.874 1.00 0.18 C ATOM 873 C ARG A 57 6.150 -2.723 6.840 1.00 0.16 C ATOM 874 O ARG A 57 7.058 -1.925 6.958 1.00 0.16 O ATOM 875 CB ARG A 57 3.941 -3.050 7.962 1.00 0.18 C ATOM 876 CG ARG A 57 4.176 -2.383 9.319 1.00 0.09 C ATOM 877 CD ARG A 57 3.733 -3.329 10.436 1.00 0.22 C ATOM 878 NE ARG A 57 2.595 -4.164 9.957 1.00 1.81 N ATOM 879 CZ ARG A 57 2.248 -5.234 10.618 1.00 2.21 C ATOM 880 NH1 ARG A 57 2.897 -5.573 11.699 1.00 1.44 N ATOM 881 NH2 ARG A 57 1.252 -5.965 10.200 1.00 3.81 N ATOM 0 H ARG A 57 3.304 -3.226 5.559 1.00 0.18 H new ATOM 0 HA ARG A 57 4.640 -1.207 7.092 1.00 0.18 H new ATOM 0 HB2 ARG A 57 2.875 -3.076 7.738 1.00 0.18 H new ATOM 0 HB3 ARG A 57 4.286 -4.083 7.988 1.00 0.18 H new ATOM 0 HG2 ARG A 57 5.231 -2.134 9.436 1.00 0.09 H new ATOM 0 HG3 ARG A 57 3.619 -1.448 9.378 1.00 0.09 H new ATOM 0 HD2 ARG A 57 4.564 -3.966 10.738 1.00 0.22 H new ATOM 0 HD3 ARG A 57 3.434 -2.757 11.314 1.00 0.22 H new ATOM 0 HE ARG A 57 2.088 -3.899 9.113 1.00 1.81 H new ATOM 0 HH11 ARG A 57 3.675 -5.001 12.027 1.00 1.44 H new ATOM 0 HH12 ARG A 57 2.626 -6.410 12.216 1.00 1.44 H new ATOM 0 HH21 ARG A 57 0.744 -5.700 9.356 1.00 3.81 H new ATOM 0 HH22 ARG A 57 0.981 -6.801 10.717 1.00 3.81 H new ATOM 895 N GLN A 58 6.385 -3.996 6.680 1.00 0.15 N ATOM 896 CA GLN A 58 7.788 -4.498 6.639 1.00 0.14 C ATOM 897 C GLN A 58 8.511 -3.908 5.425 1.00 0.13 C ATOM 898 O GLN A 58 9.683 -4.150 5.214 1.00 0.12 O ATOM 899 CB GLN A 58 7.782 -6.025 6.537 1.00 0.15 C ATOM 900 CG GLN A 58 6.830 -6.459 5.421 1.00 0.31 C ATOM 901 CD GLN A 58 7.099 -7.921 5.061 1.00 0.46 C ATOM 902 OE1 GLN A 58 6.847 -8.810 5.851 1.00 1.26 O ATOM 903 NE2 GLN A 58 7.606 -8.211 3.894 1.00 0.92 N ATOM 0 H GLN A 58 5.665 -4.711 6.576 1.00 0.15 H new ATOM 0 HA GLN A 58 8.306 -4.196 7.550 1.00 0.14 H new ATOM 0 HB2 GLN A 58 8.789 -6.390 6.333 1.00 0.15 H new ATOM 0 HB3 GLN A 58 7.470 -6.462 7.486 1.00 0.15 H new ATOM 0 HG2 GLN A 58 5.796 -6.337 5.743 1.00 0.31 H new ATOM 0 HG3 GLN A 58 6.968 -5.826 4.544 1.00 0.31 H new ATOM 0 HE21 GLN A 58 7.818 -7.466 3.231 1.00 0.92 H new ATOM 0 HE22 GLN A 58 7.790 -9.183 3.645 1.00 0.92 H new ATOM 912 N PHE A 59 7.824 -3.142 4.622 1.00 0.12 N ATOM 913 CA PHE A 59 8.479 -2.548 3.423 1.00 0.11 C ATOM 914 C PHE A 59 9.198 -1.251 3.809 1.00 0.11 C ATOM 915 O PHE A 59 10.411 -1.183 3.819 1.00 0.13 O ATOM 916 CB PHE A 59 7.423 -2.246 2.357 1.00 0.12 C ATOM 917 CG PHE A 59 8.107 -1.817 1.081 1.00 0.12 C ATOM 918 CD1 PHE A 59 8.610 -2.780 0.198 1.00 0.10 C ATOM 919 CD2 PHE A 59 8.238 -0.455 0.781 1.00 0.14 C ATOM 920 CE1 PHE A 59 9.244 -2.381 -0.985 1.00 0.10 C ATOM 921 CE2 PHE A 59 8.872 -0.057 -0.402 1.00 0.13 C ATOM 922 CZ PHE A 59 9.375 -1.020 -1.285 1.00 0.12 C ATOM 0 H PHE A 59 6.840 -2.903 4.744 1.00 0.12 H new ATOM 0 HA PHE A 59 9.205 -3.257 3.027 1.00 0.11 H new ATOM 0 HB2 PHE A 59 6.811 -3.129 2.175 1.00 0.12 H new ATOM 0 HB3 PHE A 59 6.753 -1.460 2.705 1.00 0.12 H new ATOM 0 HD1 PHE A 59 8.509 -3.830 0.429 1.00 0.10 H new ATOM 0 HD2 PHE A 59 7.850 0.288 1.462 1.00 0.14 H new ATOM 0 HE1 PHE A 59 9.632 -3.124 -1.666 1.00 0.10 H new ATOM 0 HE2 PHE A 59 8.973 0.993 -0.634 1.00 0.13 H new ATOM 0 HZ PHE A 59 9.864 -0.713 -2.198 1.00 0.12 H new ATOM 932 N TYR A 60 8.461 -0.218 4.117 1.00 0.09 N ATOM 933 CA TYR A 60 9.109 1.073 4.491 1.00 0.09 C ATOM 934 C TYR A 60 9.640 0.996 5.924 1.00 0.11 C ATOM 935 O TYR A 60 10.240 1.928 6.421 1.00 0.16 O ATOM 936 CB TYR A 60 8.090 2.211 4.384 1.00 0.12 C ATOM 937 CG TYR A 60 6.993 2.011 5.402 1.00 0.17 C ATOM 938 CD1 TYR A 60 7.198 2.382 6.737 1.00 0.19 C ATOM 939 CD2 TYR A 60 5.768 1.457 5.011 1.00 0.19 C ATOM 940 CE1 TYR A 60 6.178 2.197 7.680 1.00 0.24 C ATOM 941 CE2 TYR A 60 4.750 1.271 5.953 1.00 0.24 C ATOM 942 CZ TYR A 60 4.955 1.642 7.288 1.00 0.26 C ATOM 943 OH TYR A 60 3.951 1.459 8.217 1.00 0.31 O ATOM 0 H TYR A 60 7.441 -0.211 4.126 1.00 0.09 H new ATOM 0 HA TYR A 60 9.940 1.263 3.811 1.00 0.09 H new ATOM 0 HB2 TYR A 60 8.582 3.169 4.550 1.00 0.12 H new ATOM 0 HB3 TYR A 60 7.667 2.239 3.380 1.00 0.12 H new ATOM 0 HD1 TYR A 60 8.142 2.811 7.040 1.00 0.19 H new ATOM 0 HD2 TYR A 60 5.609 1.173 3.981 1.00 0.19 H new ATOM 0 HE1 TYR A 60 6.336 2.483 8.709 1.00 0.24 H new ATOM 0 HE2 TYR A 60 3.806 0.841 5.651 1.00 0.24 H new ATOM 0 HH TYR A 60 4.023 2.143 8.915 1.00 0.31 H new ATOM 953 N SER A 61 9.428 -0.103 6.595 1.00 0.11 N ATOM 954 CA SER A 61 9.926 -0.225 7.994 1.00 0.14 C ATOM 955 C SER A 61 11.331 -0.834 7.984 1.00 0.13 C ATOM 956 O SER A 61 12.201 -0.419 8.724 1.00 0.16 O ATOM 957 CB SER A 61 8.987 -1.124 8.797 1.00 0.17 C ATOM 958 OG SER A 61 7.681 -0.561 8.793 1.00 0.19 O ATOM 0 H SER A 61 8.933 -0.919 6.236 1.00 0.11 H new ATOM 0 HA SER A 61 9.960 0.763 8.453 1.00 0.14 H new ATOM 0 HB2 SER A 61 8.966 -2.125 8.366 1.00 0.17 H new ATOM 0 HB3 SER A 61 9.349 -1.226 9.820 1.00 0.17 H new ATOM 0 HG SER A 61 7.162 -0.945 8.056 1.00 0.19 H new ATOM 964 N HIS A 62 11.558 -1.814 7.154 1.00 0.10 N ATOM 965 CA HIS A 62 12.906 -2.447 7.100 1.00 0.11 C ATOM 966 C HIS A 62 13.775 -1.718 6.072 1.00 0.11 C ATOM 967 O HIS A 62 14.804 -1.163 6.398 1.00 0.53 O ATOM 968 CB HIS A 62 12.763 -3.916 6.696 1.00 0.08 C ATOM 969 CG HIS A 62 12.702 -4.772 7.932 1.00 0.29 C ATOM 970 ND1 HIS A 62 11.547 -5.437 8.315 1.00 0.81 N ATOM 971 CD2 HIS A 62 13.645 -5.081 8.881 1.00 1.33 C ATOM 972 CE1 HIS A 62 11.823 -6.106 9.449 1.00 0.50 C ATOM 973 NE2 HIS A 62 13.087 -5.925 9.838 1.00 1.13 N ATOM 0 H HIS A 62 10.869 -2.204 6.511 1.00 0.10 H new ATOM 0 HA HIS A 62 13.376 -2.383 8.082 1.00 0.11 H new ATOM 0 HB2 HIS A 62 11.861 -4.054 6.100 1.00 0.08 H new ATOM 0 HB3 HIS A 62 13.606 -4.217 6.073 1.00 0.08 H new ATOM 0 HD2 HIS A 62 14.664 -4.724 8.885 1.00 1.33 H new ATOM 0 HE1 HIS A 62 11.108 -6.716 9.981 1.00 0.50 H new ATOM 0 HE2 HIS A 62 13.545 -6.320 10.659 1.00 1.13 H new ATOM 981 N HIS A 63 13.369 -1.720 4.831 1.00 0.48 N ATOM 982 CA HIS A 63 14.172 -1.031 3.783 1.00 0.50 C ATOM 983 C HIS A 63 14.573 0.363 4.274 1.00 0.48 C ATOM 984 O HIS A 63 15.732 0.723 4.267 1.00 0.49 O ATOM 985 CB HIS A 63 13.340 -0.901 2.506 1.00 0.55 C ATOM 986 CG HIS A 63 12.861 -2.261 2.079 1.00 0.52 C ATOM 987 ND1 HIS A 63 13.711 -3.354 2.006 1.00 0.77 N ATOM 988 CD2 HIS A 63 11.625 -2.721 1.701 1.00 0.38 C ATOM 989 CE1 HIS A 63 12.980 -4.408 1.596 1.00 0.82 C ATOM 990 NE2 HIS A 63 11.702 -4.077 1.396 1.00 0.61 N ATOM 0 H HIS A 63 12.516 -2.169 4.499 1.00 0.48 H new ATOM 0 HA HIS A 63 15.070 -1.613 3.576 1.00 0.50 H new ATOM 0 HB2 HIS A 63 12.489 -0.242 2.679 1.00 0.55 H new ATOM 0 HB3 HIS A 63 13.938 -0.449 1.714 1.00 0.55 H new ATOM 0 HD2 HIS A 63 10.728 -2.122 1.648 1.00 0.38 H new ATOM 0 HE1 HIS A 63 13.379 -5.400 1.447 1.00 0.82 H new ATOM 0 HE2 HIS A 63 10.945 -4.687 1.086 1.00 0.61 H new ATOM 998 N GLU A 64 13.621 1.148 4.699 1.00 0.49 N ATOM 999 CA GLU A 64 13.951 2.518 5.189 1.00 0.48 C ATOM 1000 C GLU A 64 15.135 2.443 6.154 1.00 0.42 C ATOM 1001 O GLU A 64 15.939 3.349 6.237 1.00 0.44 O ATOM 1002 CB GLU A 64 12.738 3.106 5.913 1.00 0.54 C ATOM 1003 CG GLU A 64 13.058 4.529 6.374 1.00 0.66 C ATOM 1004 CD GLU A 64 11.781 5.204 6.876 1.00 1.39 C ATOM 1005 OE1 GLU A 64 10.844 4.491 7.195 1.00 2.16 O ATOM 1006 OE2 GLU A 64 11.762 6.423 6.932 1.00 1.63 O ATOM 0 H GLU A 64 12.632 0.902 4.728 1.00 0.49 H new ATOM 0 HA GLU A 64 14.212 3.154 4.343 1.00 0.48 H new ATOM 0 HB2 GLU A 64 11.874 3.113 5.249 1.00 0.54 H new ATOM 0 HB3 GLU A 64 12.477 2.485 6.770 1.00 0.54 H new ATOM 0 HG2 GLU A 64 13.805 4.506 7.167 1.00 0.66 H new ATOM 0 HG3 GLU A 64 13.485 5.102 5.551 1.00 0.66 H new ATOM 1013 N LYS A 65 15.249 1.368 6.885 1.00 0.41 N ATOM 1014 CA LYS A 65 16.382 1.235 7.844 1.00 0.47 C ATOM 1015 C LYS A 65 17.615 0.714 7.104 1.00 0.51 C ATOM 1016 O LYS A 65 18.737 0.924 7.520 1.00 0.66 O ATOM 1017 CB LYS A 65 16.000 0.255 8.954 1.00 0.54 C ATOM 1018 CG LYS A 65 16.072 0.964 10.309 1.00 0.71 C ATOM 1019 CD LYS A 65 15.026 2.079 10.358 1.00 1.39 C ATOM 1020 CE LYS A 65 14.038 1.804 11.493 1.00 1.03 C ATOM 1021 NZ LYS A 65 13.006 2.879 11.526 1.00 2.45 N ATOM 0 H LYS A 65 14.607 0.576 6.860 1.00 0.41 H new ATOM 0 HA LYS A 65 16.604 2.208 8.282 1.00 0.47 H new ATOM 0 HB2 LYS A 65 14.994 -0.128 8.785 1.00 0.54 H new ATOM 0 HB3 LYS A 65 16.673 -0.602 8.944 1.00 0.54 H new ATOM 0 HG2 LYS A 65 15.897 0.251 11.114 1.00 0.71 H new ATOM 0 HG3 LYS A 65 17.068 1.379 10.462 1.00 0.71 H new ATOM 0 HD2 LYS A 65 15.513 3.042 10.511 1.00 1.39 H new ATOM 0 HD3 LYS A 65 14.496 2.137 9.407 1.00 1.39 H new ATOM 0 HE2 LYS A 65 13.563 0.834 11.349 1.00 1.03 H new ATOM 0 HE3 LYS A 65 14.565 1.762 12.446 1.00 1.03 H new ATOM 0 HZ1 LYS A 65 12.334 2.692 12.298 1.00 2.45 H new ATOM 0 HZ2 LYS A 65 13.467 3.798 11.683 1.00 2.45 H new ATOM 0 HZ3 LYS A 65 12.496 2.898 10.620 1.00 2.45 H new ATOM 1035 N ASP A 66 17.416 0.036 6.007 1.00 0.41 N ATOM 1036 CA ASP A 66 18.576 -0.500 5.239 1.00 0.49 C ATOM 1037 C ASP A 66 19.130 0.596 4.326 1.00 0.51 C ATOM 1038 O ASP A 66 18.391 1.346 3.720 1.00 0.52 O ATOM 1039 CB ASP A 66 18.121 -1.689 4.390 1.00 0.54 C ATOM 1040 CG ASP A 66 19.315 -2.603 4.110 1.00 0.32 C ATOM 1041 OD1 ASP A 66 20.189 -2.192 3.364 1.00 1.19 O ATOM 1042 OD2 ASP A 66 19.336 -3.699 4.646 1.00 1.19 O ATOM 0 H ASP A 66 16.500 -0.170 5.609 1.00 0.41 H new ATOM 0 HA ASP A 66 19.352 -0.825 5.932 1.00 0.49 H new ATOM 0 HB2 ASP A 66 17.340 -2.243 4.910 1.00 0.54 H new ATOM 0 HB3 ASP A 66 17.691 -1.337 3.452 1.00 0.54 H new ATOM 1047 N THR A 67 20.428 0.695 4.223 1.00 0.63 N ATOM 1048 CA THR A 67 21.027 1.743 3.349 1.00 0.65 C ATOM 1049 C THR A 67 20.897 1.320 1.884 1.00 0.65 C ATOM 1050 O THR A 67 21.799 1.510 1.092 1.00 0.66 O ATOM 1051 CB THR A 67 22.506 1.916 3.701 1.00 0.72 C ATOM 1052 OG1 THR A 67 23.246 0.820 3.180 1.00 0.86 O ATOM 1053 CG2 THR A 67 22.669 1.967 5.220 1.00 0.98 C ATOM 0 H THR A 67 21.098 0.096 4.706 1.00 0.63 H new ATOM 0 HA THR A 67 20.504 2.687 3.502 1.00 0.65 H new ATOM 0 HB THR A 67 22.876 2.845 3.267 1.00 0.72 H new ATOM 0 HG1 THR A 67 23.274 0.880 2.202 1.00 0.86 H new ATOM 0 HG21 THR A 67 23.723 2.090 5.469 1.00 0.98 H new ATOM 0 HG22 THR A 67 22.101 2.808 5.619 1.00 0.98 H new ATOM 0 HG23 THR A 67 22.299 1.039 5.657 1.00 0.98 H new ATOM 1061 N ARG A 68 19.781 0.749 1.519 1.00 0.64 N ATOM 1062 CA ARG A 68 19.589 0.310 0.106 1.00 0.64 C ATOM 1063 C ARG A 68 18.819 1.385 -0.665 1.00 0.64 C ATOM 1064 O ARG A 68 19.259 1.860 -1.693 1.00 0.61 O ATOM 1065 CB ARG A 68 18.795 -0.997 0.084 1.00 0.66 C ATOM 1066 CG ARG A 68 19.759 -2.182 0.183 1.00 0.57 C ATOM 1067 CD ARG A 68 20.234 -2.573 -1.217 1.00 0.75 C ATOM 1068 NE ARG A 68 21.572 -3.220 -1.124 1.00 1.37 N ATOM 1069 CZ ARG A 68 22.042 -3.897 -2.135 1.00 1.63 C ATOM 1070 NH1 ARG A 68 21.339 -4.008 -3.230 1.00 1.59 N ATOM 1071 NH2 ARG A 68 23.214 -4.464 -2.054 1.00 2.21 N ATOM 0 H ARG A 68 18.992 0.567 2.139 1.00 0.64 H new ATOM 0 HA ARG A 68 20.562 0.155 -0.361 1.00 0.64 H new ATOM 0 HB2 ARG A 68 18.088 -1.019 0.913 1.00 0.66 H new ATOM 0 HB3 ARG A 68 18.211 -1.065 -0.834 1.00 0.66 H new ATOM 0 HG2 ARG A 68 20.613 -1.919 0.808 1.00 0.57 H new ATOM 0 HG3 ARG A 68 19.264 -3.028 0.660 1.00 0.57 H new ATOM 0 HD2 ARG A 68 19.520 -3.255 -1.678 1.00 0.75 H new ATOM 0 HD3 ARG A 68 20.288 -1.690 -1.854 1.00 0.75 H new ATOM 0 HE ARG A 68 22.121 -3.134 -0.269 1.00 1.37 H new ATOM 0 HH11 ARG A 68 20.422 -3.565 -3.295 1.00 1.59 H new ATOM 0 HH12 ARG A 68 21.707 -4.537 -4.021 1.00 1.59 H new ATOM 0 HH21 ARG A 68 23.764 -4.378 -1.199 1.00 2.21 H new ATOM 0 HH22 ARG A 68 23.580 -4.993 -2.845 1.00 2.21 H new ATOM 1085 N CYS A 69 17.671 1.771 -0.180 1.00 0.68 N ATOM 1086 CA CYS A 69 16.872 2.810 -0.890 1.00 0.69 C ATOM 1087 C CYS A 69 17.312 4.201 -0.429 1.00 0.67 C ATOM 1088 O CYS A 69 16.712 5.199 -0.779 1.00 0.63 O ATOM 1089 CB CYS A 69 15.388 2.615 -0.577 1.00 0.74 C ATOM 1090 SG CYS A 69 14.889 0.939 -1.047 1.00 0.50 S ATOM 0 H CYS A 69 17.251 1.412 0.678 1.00 0.68 H new ATOM 0 HA CYS A 69 17.033 2.717 -1.964 1.00 0.69 H new ATOM 0 HB2 CYS A 69 15.205 2.776 0.485 1.00 0.74 H new ATOM 0 HB3 CYS A 69 14.791 3.349 -1.118 1.00 0.74 H new ATOM 1095 N LEU A 70 18.355 4.279 0.351 1.00 0.68 N ATOM 1096 CA LEU A 70 18.829 5.609 0.828 1.00 0.65 C ATOM 1097 C LEU A 70 19.709 6.250 -0.247 1.00 0.57 C ATOM 1098 O LEU A 70 19.533 7.397 -0.604 1.00 0.58 O ATOM 1099 CB LEU A 70 19.642 5.431 2.115 1.00 0.63 C ATOM 1100 CG LEU A 70 18.701 5.398 3.326 1.00 0.66 C ATOM 1101 CD1 LEU A 70 19.487 4.978 4.569 1.00 0.67 C ATOM 1102 CD2 LEU A 70 18.089 6.787 3.563 1.00 0.78 C ATOM 0 H LEU A 70 18.899 3.481 0.678 1.00 0.68 H new ATOM 0 HA LEU A 70 17.971 6.251 1.027 1.00 0.65 H new ATOM 0 HB2 LEU A 70 20.219 4.507 2.066 1.00 0.63 H new ATOM 0 HB3 LEU A 70 20.356 6.248 2.220 1.00 0.63 H new ATOM 0 HG LEU A 70 17.901 4.684 3.131 1.00 0.66 H new ATOM 0 HD11 LEU A 70 18.820 4.954 5.431 1.00 0.67 H new ATOM 0 HD12 LEU A 70 19.913 3.987 4.412 1.00 0.67 H new ATOM 0 HD13 LEU A 70 20.289 5.693 4.751 1.00 0.67 H new ATOM 0 HD21 LEU A 70 17.423 6.749 4.425 1.00 0.78 H new ATOM 0 HD22 LEU A 70 18.885 7.508 3.750 1.00 0.78 H new ATOM 0 HD23 LEU A 70 17.524 7.091 2.682 1.00 0.78 H new ATOM 1114 N GLY A 71 20.655 5.516 -0.767 1.00 0.51 N ATOM 1115 CA GLY A 71 21.545 6.083 -1.820 1.00 0.44 C ATOM 1116 C GLY A 71 22.547 7.046 -1.180 1.00 0.37 C ATOM 1117 O GLY A 71 22.942 6.880 -0.043 1.00 0.40 O ATOM 0 H GLY A 71 20.850 4.549 -0.508 1.00 0.51 H new ATOM 0 HA2 GLY A 71 22.074 5.281 -2.334 1.00 0.44 H new ATOM 0 HA3 GLY A 71 20.951 6.605 -2.570 1.00 0.44 H new ATOM 1121 N ALA A 72 22.961 8.051 -1.901 1.00 0.34 N ATOM 1122 CA ALA A 72 23.938 9.023 -1.334 1.00 0.31 C ATOM 1123 C ALA A 72 23.673 10.411 -1.920 1.00 0.30 C ATOM 1124 O ALA A 72 23.826 11.416 -1.253 1.00 0.44 O ATOM 1125 CB ALA A 72 25.360 8.582 -1.688 1.00 0.34 C ATOM 0 H ALA A 72 22.665 8.241 -2.858 1.00 0.34 H new ATOM 0 HA ALA A 72 23.829 9.059 -0.250 1.00 0.31 H new ATOM 0 HB1 ALA A 72 26.075 9.293 -1.274 1.00 0.34 H new ATOM 0 HB2 ALA A 72 25.548 7.593 -1.271 1.00 0.34 H new ATOM 0 HB3 ALA A 72 25.471 8.546 -2.772 1.00 0.34 H new ATOM 1131 N THR A 73 23.276 10.475 -3.162 1.00 0.29 N ATOM 1132 CA THR A 73 23.002 11.799 -3.788 1.00 0.38 C ATOM 1133 C THR A 73 22.092 12.619 -2.872 1.00 0.34 C ATOM 1134 O THR A 73 21.478 12.096 -1.962 1.00 0.26 O ATOM 1135 CB THR A 73 22.313 11.591 -5.139 1.00 0.48 C ATOM 1136 OG1 THR A 73 21.509 10.421 -5.082 1.00 0.81 O ATOM 1137 CG2 THR A 73 23.368 11.434 -6.234 1.00 0.85 C ATOM 0 H THR A 73 23.130 9.669 -3.769 1.00 0.29 H new ATOM 0 HA THR A 73 23.941 12.332 -3.937 1.00 0.38 H new ATOM 0 HB THR A 73 21.686 12.454 -5.364 1.00 0.48 H new ATOM 0 HG1 THR A 73 21.065 10.287 -5.945 1.00 0.81 H new ATOM 0 HG21 THR A 73 22.876 11.286 -7.195 1.00 0.85 H new ATOM 0 HG22 THR A 73 23.985 12.332 -6.277 1.00 0.85 H new ATOM 0 HG23 THR A 73 23.997 10.572 -6.012 1.00 0.85 H new ATOM 1145 N ALA A 74 22.000 13.900 -3.102 1.00 0.42 N ATOM 1146 CA ALA A 74 21.129 14.750 -2.243 1.00 0.43 C ATOM 1147 C ALA A 74 19.719 14.802 -2.837 1.00 0.44 C ATOM 1148 O ALA A 74 18.741 14.921 -2.127 1.00 0.43 O ATOM 1149 CB ALA A 74 21.706 16.165 -2.175 1.00 0.49 C ATOM 0 H ALA A 74 22.490 14.394 -3.847 1.00 0.42 H new ATOM 0 HA ALA A 74 21.084 14.326 -1.240 1.00 0.43 H new ATOM 0 HB1 ALA A 74 21.069 16.788 -1.547 1.00 0.49 H new ATOM 0 HB2 ALA A 74 22.710 16.129 -1.751 1.00 0.49 H new ATOM 0 HB3 ALA A 74 21.751 16.588 -3.178 1.00 0.49 H new ATOM 1155 N GLN A 75 19.608 14.715 -4.134 1.00 0.46 N ATOM 1156 CA GLN A 75 18.262 14.760 -4.771 1.00 0.48 C ATOM 1157 C GLN A 75 17.518 13.455 -4.483 1.00 0.45 C ATOM 1158 O GLN A 75 16.330 13.449 -4.225 1.00 0.40 O ATOM 1159 CB GLN A 75 18.417 14.936 -6.283 1.00 0.50 C ATOM 1160 CG GLN A 75 18.896 13.623 -6.905 1.00 0.69 C ATOM 1161 CD GLN A 75 19.468 13.895 -8.296 1.00 1.01 C ATOM 1162 OE1 GLN A 75 20.243 14.813 -8.479 1.00 0.73 O ATOM 1163 NE2 GLN A 75 19.117 13.131 -9.295 1.00 2.07 N ATOM 0 H GLN A 75 20.391 14.615 -4.780 1.00 0.46 H new ATOM 0 HA GLN A 75 17.696 15.598 -4.365 1.00 0.48 H new ATOM 0 HB2 GLN A 75 17.466 15.234 -6.724 1.00 0.50 H new ATOM 0 HB3 GLN A 75 19.130 15.733 -6.496 1.00 0.50 H new ATOM 0 HG2 GLN A 75 19.655 13.164 -6.272 1.00 0.69 H new ATOM 0 HG3 GLN A 75 18.068 12.917 -6.973 1.00 0.69 H new ATOM 0 HE21 GLN A 75 18.467 12.360 -9.143 1.00 2.07 H new ATOM 0 HE22 GLN A 75 19.493 13.305 -10.227 1.00 2.07 H new ATOM 1172 N GLN A 76 18.204 12.346 -4.526 1.00 0.50 N ATOM 1173 CA GLN A 76 17.535 11.043 -4.256 1.00 0.48 C ATOM 1174 C GLN A 76 17.361 10.862 -2.747 1.00 0.45 C ATOM 1175 O GLN A 76 16.474 10.167 -2.293 1.00 0.40 O ATOM 1176 CB GLN A 76 18.394 9.904 -4.811 1.00 0.61 C ATOM 1177 CG GLN A 76 17.632 8.583 -4.685 1.00 0.42 C ATOM 1178 CD GLN A 76 17.348 8.021 -6.079 1.00 1.06 C ATOM 1179 OE1 GLN A 76 17.003 8.755 -6.983 1.00 2.14 O ATOM 1180 NE2 GLN A 76 17.480 6.740 -6.292 1.00 1.24 N ATOM 0 H GLN A 76 19.200 12.286 -4.737 1.00 0.50 H new ATOM 0 HA GLN A 76 16.558 11.029 -4.738 1.00 0.48 H new ATOM 0 HB2 GLN A 76 18.641 10.096 -5.855 1.00 0.61 H new ATOM 0 HB3 GLN A 76 19.336 9.846 -4.266 1.00 0.61 H new ATOM 0 HG2 GLN A 76 18.216 7.868 -4.105 1.00 0.42 H new ATOM 0 HG3 GLN A 76 16.697 8.740 -4.148 1.00 0.42 H new ATOM 0 HE21 GLN A 76 17.770 6.124 -5.532 1.00 1.24 H new ATOM 0 HE22 GLN A 76 17.293 6.355 -7.218 1.00 1.24 H new ATOM 1189 N PHE A 77 18.202 11.482 -1.964 1.00 0.51 N ATOM 1190 CA PHE A 77 18.084 11.345 -0.486 1.00 0.53 C ATOM 1191 C PHE A 77 16.734 11.903 -0.027 1.00 0.45 C ATOM 1192 O PHE A 77 15.959 11.226 0.618 1.00 0.51 O ATOM 1193 CB PHE A 77 19.214 12.124 0.190 1.00 0.62 C ATOM 1194 CG PHE A 77 18.904 12.287 1.659 1.00 0.56 C ATOM 1195 CD1 PHE A 77 18.179 13.399 2.102 1.00 0.79 C ATOM 1196 CD2 PHE A 77 19.344 11.327 2.578 1.00 0.43 C ATOM 1197 CE1 PHE A 77 17.892 13.551 3.463 1.00 0.88 C ATOM 1198 CE2 PHE A 77 19.057 11.478 3.940 1.00 0.60 C ATOM 1199 CZ PHE A 77 18.331 12.591 4.383 1.00 0.80 C ATOM 0 H PHE A 77 18.965 12.077 -2.285 1.00 0.51 H new ATOM 0 HA PHE A 77 18.154 10.292 -0.212 1.00 0.53 H new ATOM 0 HB2 PHE A 77 20.160 11.597 0.063 1.00 0.62 H new ATOM 0 HB3 PHE A 77 19.328 13.101 -0.279 1.00 0.62 H new ATOM 0 HD1 PHE A 77 17.841 14.140 1.393 1.00 0.79 H new ATOM 0 HD2 PHE A 77 19.905 10.470 2.236 1.00 0.43 H new ATOM 0 HE1 PHE A 77 17.332 14.409 3.804 1.00 0.88 H new ATOM 0 HE2 PHE A 77 19.395 10.737 4.649 1.00 0.60 H new ATOM 0 HZ PHE A 77 18.110 12.709 5.434 1.00 0.80 H new ATOM 1209 N HIS A 78 16.448 13.133 -0.355 1.00 0.33 N ATOM 1210 CA HIS A 78 15.150 13.733 0.061 1.00 0.31 C ATOM 1211 C HIS A 78 14.008 13.062 -0.705 1.00 0.22 C ATOM 1212 O HIS A 78 13.062 12.569 -0.123 1.00 0.29 O ATOM 1213 CB HIS A 78 15.158 15.232 -0.244 1.00 0.30 C ATOM 1214 CG HIS A 78 14.066 15.909 0.537 1.00 0.41 C ATOM 1215 ND1 HIS A 78 13.971 17.289 0.632 1.00 0.49 N ATOM 1216 CD2 HIS A 78 13.014 15.410 1.266 1.00 0.54 C ATOM 1217 CE1 HIS A 78 12.896 17.570 1.392 1.00 0.63 C ATOM 1218 NE2 HIS A 78 12.278 16.460 1.804 1.00 0.64 N ATOM 0 H HIS A 78 17.058 13.748 -0.893 1.00 0.33 H new ATOM 0 HA HIS A 78 15.007 13.582 1.131 1.00 0.31 H new ATOM 0 HB2 HIS A 78 16.125 15.662 0.016 1.00 0.30 H new ATOM 0 HB3 HIS A 78 15.012 15.397 -1.311 1.00 0.30 H new ATOM 0 HD2 HIS A 78 12.792 14.362 1.401 1.00 0.54 H new ATOM 0 HE1 HIS A 78 12.573 18.571 1.638 1.00 0.63 H new ATOM 0 HE2 HIS A 78 11.444 16.396 2.388 1.00 0.64 H new ATOM 1226 N ARG A 79 14.087 13.041 -2.008 1.00 0.14 N ATOM 1227 CA ARG A 79 13.006 12.403 -2.810 1.00 0.17 C ATOM 1228 C ARG A 79 12.676 11.030 -2.221 1.00 0.18 C ATOM 1229 O ARG A 79 11.572 10.537 -2.352 1.00 0.19 O ATOM 1230 CB ARG A 79 13.474 12.238 -4.257 1.00 0.26 C ATOM 1231 CG ARG A 79 12.260 12.047 -5.169 1.00 0.23 C ATOM 1232 CD ARG A 79 12.725 11.929 -6.622 1.00 0.30 C ATOM 1233 NE ARG A 79 12.698 13.274 -7.262 1.00 0.79 N ATOM 1234 CZ ARG A 79 13.325 13.473 -8.389 1.00 1.06 C ATOM 1235 NH1 ARG A 79 13.975 12.493 -8.955 1.00 1.02 N ATOM 1236 NH2 ARG A 79 13.303 14.651 -8.950 1.00 1.55 N ATOM 0 H ARG A 79 14.854 13.438 -2.551 1.00 0.14 H new ATOM 0 HA ARG A 79 12.116 13.032 -2.785 1.00 0.17 H new ATOM 0 HB2 ARG A 79 14.042 13.115 -4.569 1.00 0.26 H new ATOM 0 HB3 ARG A 79 14.142 11.380 -4.339 1.00 0.26 H new ATOM 0 HG2 ARG A 79 11.711 11.151 -4.878 1.00 0.23 H new ATOM 0 HG3 ARG A 79 11.576 12.889 -5.062 1.00 0.23 H new ATOM 0 HD2 ARG A 79 13.733 11.516 -6.660 1.00 0.30 H new ATOM 0 HD3 ARG A 79 12.078 11.242 -7.167 1.00 0.30 H new ATOM 0 HE ARG A 79 12.189 14.039 -6.819 1.00 0.79 H new ATOM 0 HH11 ARG A 79 13.993 11.572 -8.516 1.00 1.02 H new ATOM 0 HH12 ARG A 79 14.465 12.648 -9.836 1.00 1.02 H new ATOM 0 HH21 ARG A 79 12.795 15.417 -8.508 1.00 1.55 H new ATOM 0 HH22 ARG A 79 13.793 14.806 -9.831 1.00 1.55 H new ATOM 1250 N HIS A 80 13.622 10.409 -1.573 1.00 0.23 N ATOM 1251 CA HIS A 80 13.360 9.068 -0.977 1.00 0.31 C ATOM 1252 C HIS A 80 12.548 9.231 0.309 1.00 0.29 C ATOM 1253 O HIS A 80 11.535 8.588 0.500 1.00 0.29 O ATOM 1254 CB HIS A 80 14.691 8.384 -0.656 1.00 0.39 C ATOM 1255 CG HIS A 80 14.436 7.162 0.182 1.00 0.49 C ATOM 1256 ND1 HIS A 80 13.834 6.024 -0.332 1.00 0.58 N ATOM 1257 CD2 HIS A 80 14.696 6.883 1.501 1.00 0.67 C ATOM 1258 CE1 HIS A 80 13.752 5.122 0.663 1.00 0.64 C ATOM 1259 NE2 HIS A 80 14.263 5.595 1.803 1.00 0.69 N ATOM 0 H HIS A 80 14.565 10.771 -1.430 1.00 0.23 H new ATOM 0 HA HIS A 80 12.799 8.459 -1.686 1.00 0.31 H new ATOM 0 HB2 HIS A 80 15.201 8.106 -1.578 1.00 0.39 H new ATOM 0 HB3 HIS A 80 15.347 9.073 -0.124 1.00 0.39 H new ATOM 0 HD2 HIS A 80 15.166 7.561 2.199 1.00 0.67 H new ATOM 0 HE1 HIS A 80 13.325 4.136 0.553 1.00 0.64 H new ATOM 0 HE2 HIS A 80 14.323 5.116 2.701 1.00 0.69 H new ATOM 1267 N LYS A 81 12.983 10.087 1.192 1.00 0.29 N ATOM 1268 CA LYS A 81 12.234 10.290 2.465 1.00 0.32 C ATOM 1269 C LYS A 81 10.774 10.623 2.149 1.00 0.24 C ATOM 1270 O LYS A 81 9.861 10.020 2.679 1.00 0.31 O ATOM 1271 CB LYS A 81 12.862 11.445 3.248 1.00 0.37 C ATOM 1272 CG LYS A 81 14.330 11.126 3.539 1.00 0.63 C ATOM 1273 CD LYS A 81 14.750 11.796 4.848 1.00 0.72 C ATOM 1274 CE LYS A 81 14.549 13.309 4.735 1.00 2.27 C ATOM 1275 NZ LYS A 81 15.234 13.988 5.870 1.00 2.64 N ATOM 0 H LYS A 81 13.824 10.655 1.088 1.00 0.29 H new ATOM 0 HA LYS A 81 12.279 9.379 3.062 1.00 0.32 H new ATOM 0 HB2 LYS A 81 12.786 12.370 2.676 1.00 0.37 H new ATOM 0 HB3 LYS A 81 12.321 11.602 4.181 1.00 0.37 H new ATOM 0 HG2 LYS A 81 14.471 10.047 3.609 1.00 0.63 H new ATOM 0 HG3 LYS A 81 14.958 11.478 2.721 1.00 0.63 H new ATOM 0 HD2 LYS A 81 14.161 11.401 5.676 1.00 0.72 H new ATOM 0 HD3 LYS A 81 15.795 11.572 5.064 1.00 0.72 H new ATOM 0 HE2 LYS A 81 14.948 13.670 3.787 1.00 2.27 H new ATOM 0 HE3 LYS A 81 13.485 13.547 4.744 1.00 2.27 H new ATOM 0 HZ1 LYS A 81 15.097 15.016 5.793 1.00 2.64 H new ATOM 0 HZ2 LYS A 81 14.833 13.652 6.769 1.00 2.64 H new ATOM 0 HZ3 LYS A 81 16.251 13.771 5.842 1.00 2.64 H new ATOM 1289 N GLN A 82 10.546 11.576 1.289 1.00 0.18 N ATOM 1290 CA GLN A 82 9.144 11.945 0.940 1.00 0.22 C ATOM 1291 C GLN A 82 8.353 10.677 0.608 1.00 0.20 C ATOM 1292 O GLN A 82 7.234 10.500 1.046 1.00 0.22 O ATOM 1293 CB GLN A 82 9.148 12.875 -0.275 1.00 0.28 C ATOM 1294 CG GLN A 82 8.332 14.131 0.041 1.00 0.96 C ATOM 1295 CD GLN A 82 8.187 14.977 -1.225 1.00 0.61 C ATOM 1296 OE1 GLN A 82 8.764 16.041 -1.328 1.00 1.56 O ATOM 1297 NE2 GLN A 82 7.435 14.546 -2.201 1.00 0.80 N ATOM 0 H GLN A 82 11.269 12.116 0.812 1.00 0.18 H new ATOM 0 HA GLN A 82 8.680 12.454 1.785 1.00 0.22 H new ATOM 0 HB2 GLN A 82 10.171 13.148 -0.534 1.00 0.28 H new ATOM 0 HB3 GLN A 82 8.727 12.363 -1.140 1.00 0.28 H new ATOM 0 HG2 GLN A 82 7.349 13.853 0.420 1.00 0.96 H new ATOM 0 HG3 GLN A 82 8.823 14.709 0.823 1.00 0.96 H new ATOM 0 HE21 GLN A 82 6.950 13.653 -2.115 1.00 0.80 H new ATOM 0 HE22 GLN A 82 7.332 15.103 -3.050 1.00 0.80 H new ATOM 1306 N LEU A 83 8.927 9.794 -0.162 1.00 0.21 N ATOM 1307 CA LEU A 83 8.209 8.538 -0.521 1.00 0.28 C ATOM 1308 C LEU A 83 7.770 7.826 0.761 1.00 0.25 C ATOM 1309 O LEU A 83 6.604 7.550 0.961 1.00 0.27 O ATOM 1310 CB LEU A 83 9.146 7.627 -1.318 1.00 0.32 C ATOM 1311 CG LEU A 83 8.325 6.690 -2.208 1.00 0.42 C ATOM 1312 CD1 LEU A 83 9.270 5.808 -3.025 1.00 0.48 C ATOM 1313 CD2 LEU A 83 7.431 5.806 -1.336 1.00 0.44 C ATOM 0 H LEU A 83 9.862 9.888 -0.558 1.00 0.21 H new ATOM 0 HA LEU A 83 7.334 8.774 -1.126 1.00 0.28 H new ATOM 0 HB2 LEU A 83 9.819 8.228 -1.930 1.00 0.32 H new ATOM 0 HB3 LEU A 83 9.768 7.045 -0.638 1.00 0.32 H new ATOM 0 HG LEU A 83 7.704 7.281 -2.881 1.00 0.42 H new ATOM 0 HD11 LEU A 83 8.687 5.140 -3.659 1.00 0.48 H new ATOM 0 HD12 LEU A 83 9.907 6.436 -3.648 1.00 0.48 H new ATOM 0 HD13 LEU A 83 9.891 5.218 -2.351 1.00 0.48 H new ATOM 0 HD21 LEU A 83 6.847 5.140 -1.971 1.00 0.44 H new ATOM 0 HD22 LEU A 83 8.051 5.214 -0.662 1.00 0.44 H new ATOM 0 HD23 LEU A 83 6.757 6.433 -0.752 1.00 0.44 H new ATOM 1325 N ILE A 84 8.696 7.528 1.631 1.00 0.23 N ATOM 1326 CA ILE A 84 8.334 6.836 2.900 1.00 0.23 C ATOM 1327 C ILE A 84 7.123 7.528 3.531 1.00 0.20 C ATOM 1328 O ILE A 84 6.219 6.888 4.029 1.00 0.25 O ATOM 1329 CB ILE A 84 9.517 6.896 3.871 1.00 0.21 C ATOM 1330 CG1 ILE A 84 10.809 6.539 3.128 1.00 0.22 C ATOM 1331 CG2 ILE A 84 9.296 5.902 5.013 1.00 0.24 C ATOM 1332 CD1 ILE A 84 10.606 5.253 2.325 1.00 0.28 C ATOM 0 H ILE A 84 9.688 7.734 1.517 1.00 0.23 H new ATOM 0 HA ILE A 84 8.090 5.795 2.688 1.00 0.23 H new ATOM 0 HB ILE A 84 9.598 7.904 4.278 1.00 0.21 H new ATOM 0 HG12 ILE A 84 11.093 7.354 2.462 1.00 0.22 H new ATOM 0 HG13 ILE A 84 11.625 6.410 3.839 1.00 0.22 H new ATOM 0 HG21 ILE A 84 10.139 5.947 5.702 1.00 0.24 H new ATOM 0 HG22 ILE A 84 8.379 6.156 5.544 1.00 0.24 H new ATOM 0 HG23 ILE A 84 9.212 4.894 4.607 1.00 0.24 H new ATOM 0 HD11 ILE A 84 11.527 5.003 1.799 1.00 0.28 H new ATOM 0 HD12 ILE A 84 10.343 4.440 3.001 1.00 0.28 H new ATOM 0 HD13 ILE A 84 9.803 5.398 1.602 1.00 0.28 H new ATOM 1344 N ARG A 85 7.100 8.833 3.517 1.00 0.14 N ATOM 1345 CA ARG A 85 5.949 9.564 4.116 1.00 0.12 C ATOM 1346 C ARG A 85 4.648 9.086 3.469 1.00 0.10 C ATOM 1347 O ARG A 85 3.674 8.810 4.141 1.00 0.09 O ATOM 1348 CB ARG A 85 6.117 11.066 3.874 1.00 0.13 C ATOM 1349 CG ARG A 85 5.319 11.845 4.923 1.00 0.93 C ATOM 1350 CD ARG A 85 6.218 12.158 6.119 1.00 0.80 C ATOM 1351 NE ARG A 85 7.314 13.071 5.691 1.00 0.93 N ATOM 1352 CZ ARG A 85 8.021 13.707 6.585 1.00 1.31 C ATOM 1353 NH1 ARG A 85 7.768 13.542 7.855 1.00 1.70 N ATOM 1354 NH2 ARG A 85 8.981 14.507 6.211 1.00 2.45 N ATOM 0 H ARG A 85 7.829 9.424 3.117 1.00 0.14 H new ATOM 0 HA ARG A 85 5.914 9.370 5.188 1.00 0.12 H new ATOM 0 HB2 ARG A 85 7.171 11.338 3.928 1.00 0.13 H new ATOM 0 HB3 ARG A 85 5.772 11.325 2.873 1.00 0.13 H new ATOM 0 HG2 ARG A 85 4.936 12.769 4.491 1.00 0.93 H new ATOM 0 HG3 ARG A 85 4.456 11.262 5.246 1.00 0.93 H new ATOM 0 HD2 ARG A 85 5.634 12.621 6.915 1.00 0.80 H new ATOM 0 HD3 ARG A 85 6.635 11.236 6.525 1.00 0.80 H new ATOM 0 HE ARG A 85 7.512 13.199 4.699 1.00 0.93 H new ATOM 0 HH11 ARG A 85 7.018 12.916 8.148 1.00 1.70 H new ATOM 0 HH12 ARG A 85 8.320 14.039 8.554 1.00 1.70 H new ATOM 0 HH21 ARG A 85 9.180 14.636 5.219 1.00 2.45 H new ATOM 0 HH22 ARG A 85 9.533 15.003 6.911 1.00 2.45 H new ATOM 1368 N PHE A 86 4.624 8.986 2.168 1.00 0.10 N ATOM 1369 CA PHE A 86 3.385 8.526 1.478 1.00 0.09 C ATOM 1370 C PHE A 86 3.034 7.111 1.944 1.00 0.14 C ATOM 1371 O PHE A 86 1.903 6.820 2.279 1.00 0.20 O ATOM 1372 CB PHE A 86 3.614 8.522 -0.034 1.00 0.13 C ATOM 1373 CG PHE A 86 3.317 9.893 -0.593 1.00 0.11 C ATOM 1374 CD1 PHE A 86 1.997 10.261 -0.878 1.00 0.12 C ATOM 1375 CD2 PHE A 86 4.361 10.796 -0.825 1.00 0.15 C ATOM 1376 CE1 PHE A 86 1.721 11.531 -1.396 1.00 0.13 C ATOM 1377 CE2 PHE A 86 4.085 12.067 -1.343 1.00 0.21 C ATOM 1378 CZ PHE A 86 2.765 12.435 -1.628 1.00 0.19 C ATOM 0 H PHE A 86 5.408 9.203 1.553 1.00 0.10 H new ATOM 0 HA PHE A 86 2.564 9.201 1.720 1.00 0.09 H new ATOM 0 HB2 PHE A 86 4.644 8.243 -0.256 1.00 0.13 H new ATOM 0 HB3 PHE A 86 2.973 7.778 -0.507 1.00 0.13 H new ATOM 0 HD1 PHE A 86 1.191 9.565 -0.698 1.00 0.12 H new ATOM 0 HD2 PHE A 86 5.379 10.512 -0.604 1.00 0.15 H new ATOM 0 HE1 PHE A 86 0.703 11.814 -1.617 1.00 0.13 H new ATOM 0 HE2 PHE A 86 4.891 12.764 -1.523 1.00 0.21 H new ATOM 0 HZ PHE A 86 2.552 13.416 -2.027 1.00 0.19 H new ATOM 1388 N LEU A 87 3.995 6.229 1.968 1.00 0.15 N ATOM 1389 CA LEU A 87 3.715 4.833 2.412 1.00 0.22 C ATOM 1390 C LEU A 87 3.167 4.852 3.840 1.00 0.22 C ATOM 1391 O LEU A 87 2.173 4.222 4.142 1.00 0.31 O ATOM 1392 CB LEU A 87 5.008 4.015 2.372 1.00 0.24 C ATOM 1393 CG LEU A 87 5.710 4.233 1.031 1.00 0.67 C ATOM 1394 CD1 LEU A 87 6.941 3.328 0.946 1.00 0.59 C ATOM 1395 CD2 LEU A 87 4.749 3.890 -0.109 1.00 1.07 C ATOM 0 H LEU A 87 4.962 6.414 1.700 1.00 0.15 H new ATOM 0 HA LEU A 87 2.979 4.381 1.747 1.00 0.22 H new ATOM 0 HB2 LEU A 87 5.664 4.312 3.190 1.00 0.24 H new ATOM 0 HB3 LEU A 87 4.786 2.957 2.510 1.00 0.24 H new ATOM 0 HG LEU A 87 6.018 5.275 0.948 1.00 0.67 H new ATOM 0 HD11 LEU A 87 7.441 3.483 -0.010 1.00 0.59 H new ATOM 0 HD12 LEU A 87 7.627 3.569 1.758 1.00 0.59 H new ATOM 0 HD13 LEU A 87 6.633 2.286 1.029 1.00 0.59 H new ATOM 0 HD21 LEU A 87 5.249 4.045 -1.065 1.00 1.07 H new ATOM 0 HD22 LEU A 87 4.442 2.847 -0.025 1.00 1.07 H new ATOM 0 HD23 LEU A 87 3.871 4.533 -0.050 1.00 1.07 H new ATOM 1407 N LYS A 88 3.808 5.569 4.723 1.00 0.15 N ATOM 1408 CA LYS A 88 3.323 5.626 6.131 1.00 0.20 C ATOM 1409 C LYS A 88 1.969 6.336 6.176 1.00 0.20 C ATOM 1410 O LYS A 88 1.256 6.270 7.157 1.00 0.22 O ATOM 1411 CB LYS A 88 4.331 6.395 6.987 1.00 0.21 C ATOM 1412 CG LYS A 88 4.577 5.635 8.293 1.00 0.83 C ATOM 1413 CD LYS A 88 5.308 6.544 9.282 1.00 0.97 C ATOM 1414 CE LYS A 88 6.452 5.768 9.938 1.00 0.66 C ATOM 1415 NZ LYS A 88 6.952 6.525 11.121 1.00 1.33 N ATOM 0 H LYS A 88 4.646 6.117 4.530 1.00 0.15 H new ATOM 0 HA LYS A 88 3.215 4.613 6.519 1.00 0.20 H new ATOM 0 HB2 LYS A 88 5.268 6.517 6.443 1.00 0.21 H new ATOM 0 HB3 LYS A 88 3.954 7.395 7.201 1.00 0.21 H new ATOM 0 HG2 LYS A 88 3.629 5.305 8.718 1.00 0.83 H new ATOM 0 HG3 LYS A 88 5.168 4.740 8.100 1.00 0.83 H new ATOM 0 HD2 LYS A 88 5.698 7.421 8.766 1.00 0.97 H new ATOM 0 HD3 LYS A 88 4.615 6.904 10.043 1.00 0.97 H new ATOM 0 HE2 LYS A 88 6.107 4.780 10.244 1.00 0.66 H new ATOM 0 HE3 LYS A 88 7.260 5.616 9.222 1.00 0.66 H new ATOM 0 HZ1 LYS A 88 7.730 5.998 11.567 1.00 1.33 H new ATOM 0 HZ2 LYS A 88 7.296 7.458 10.816 1.00 1.33 H new ATOM 0 HZ3 LYS A 88 6.179 6.648 11.806 1.00 1.33 H new ATOM 1429 N ARG A 89 1.609 7.015 5.121 1.00 0.22 N ATOM 1430 CA ARG A 89 0.301 7.729 5.106 1.00 0.26 C ATOM 1431 C ARG A 89 -0.813 6.745 4.739 1.00 0.24 C ATOM 1432 O ARG A 89 -1.659 6.419 5.549 1.00 0.31 O ATOM 1433 CB ARG A 89 0.346 8.856 4.071 1.00 0.32 C ATOM 1434 CG ARG A 89 -0.133 10.159 4.714 1.00 0.99 C ATOM 1435 CD ARG A 89 -0.066 11.290 3.687 1.00 1.11 C ATOM 1436 NE ARG A 89 -0.957 10.970 2.536 1.00 2.00 N ATOM 1437 CZ ARG A 89 -1.291 11.904 1.690 1.00 2.59 C ATOM 1438 NH1 ARG A 89 -0.844 13.120 1.850 1.00 1.76 N ATOM 1439 NH2 ARG A 89 -2.072 11.625 0.682 1.00 4.24 N ATOM 0 H ARG A 89 2.164 7.106 4.270 1.00 0.22 H new ATOM 0 HA ARG A 89 0.106 8.149 6.093 1.00 0.26 H new ATOM 0 HB2 ARG A 89 1.361 8.976 3.693 1.00 0.32 H new ATOM 0 HB3 ARG A 89 -0.284 8.606 3.218 1.00 0.32 H new ATOM 0 HG2 ARG A 89 -1.154 10.044 5.077 1.00 0.99 H new ATOM 0 HG3 ARG A 89 0.487 10.400 5.577 1.00 0.99 H new ATOM 0 HD2 ARG A 89 -0.371 12.231 4.146 1.00 1.11 H new ATOM 0 HD3 ARG A 89 0.959 11.421 3.341 1.00 1.11 H new ATOM 0 HE ARG A 89 -1.306 10.020 2.410 1.00 2.00 H new ATOM 0 HH11 ARG A 89 -0.233 13.339 2.637 1.00 1.76 H new ATOM 0 HH12 ARG A 89 -1.105 13.851 1.188 1.00 1.76 H new ATOM 0 HH21 ARG A 89 -2.422 10.675 0.555 1.00 4.24 H new ATOM 0 HH22 ARG A 89 -2.333 12.357 0.021 1.00 4.24 H new ATOM 1453 N LEU A 90 -0.820 6.269 3.524 1.00 0.20 N ATOM 1454 CA LEU A 90 -1.879 5.307 3.108 1.00 0.17 C ATOM 1455 C LEU A 90 -1.838 4.076 4.016 1.00 0.14 C ATOM 1456 O LEU A 90 -2.843 3.440 4.261 1.00 0.22 O ATOM 1457 CB LEU A 90 -1.638 4.879 1.658 1.00 0.16 C ATOM 1458 CG LEU A 90 -0.272 4.202 1.546 1.00 0.18 C ATOM 1459 CD1 LEU A 90 -0.459 2.689 1.423 1.00 0.20 C ATOM 1460 CD2 LEU A 90 0.456 4.727 0.305 1.00 0.26 C ATOM 0 H LEU A 90 -0.139 6.504 2.802 1.00 0.20 H new ATOM 0 HA LEU A 90 -2.855 5.785 3.189 1.00 0.17 H new ATOM 0 HB2 LEU A 90 -2.422 4.195 1.335 1.00 0.16 H new ATOM 0 HB3 LEU A 90 -1.681 5.747 1.000 1.00 0.16 H new ATOM 0 HG LEU A 90 0.317 4.424 2.436 1.00 0.18 H new ATOM 0 HD11 LEU A 90 0.515 2.207 1.343 1.00 0.20 H new ATOM 0 HD12 LEU A 90 -0.978 2.314 2.305 1.00 0.20 H new ATOM 0 HD13 LEU A 90 -1.048 2.466 0.533 1.00 0.20 H new ATOM 0 HD21 LEU A 90 1.430 4.245 0.224 1.00 0.26 H new ATOM 0 HD22 LEU A 90 -0.134 4.505 -0.584 1.00 0.26 H new ATOM 0 HD23 LEU A 90 0.591 5.805 0.391 1.00 0.26 H new ATOM 1472 N ASP A 91 -0.682 3.736 4.517 1.00 0.18 N ATOM 1473 CA ASP A 91 -0.577 2.548 5.410 1.00 0.17 C ATOM 1474 C ASP A 91 -1.478 2.745 6.631 1.00 0.16 C ATOM 1475 O ASP A 91 -2.045 1.806 7.154 1.00 0.24 O ATOM 1476 CB ASP A 91 0.874 2.379 5.868 1.00 0.26 C ATOM 1477 CG ASP A 91 0.951 1.273 6.921 1.00 0.31 C ATOM 1478 OD1 ASP A 91 0.668 1.558 8.073 1.00 0.91 O ATOM 1479 OD2 ASP A 91 1.293 0.159 6.558 1.00 1.38 O ATOM 0 H ASP A 91 0.194 4.230 4.346 1.00 0.18 H new ATOM 0 HA ASP A 91 -0.892 1.657 4.866 1.00 0.17 H new ATOM 0 HB2 ASP A 91 1.508 2.131 5.017 1.00 0.26 H new ATOM 0 HB3 ASP A 91 1.248 3.316 6.281 1.00 0.26 H new ATOM 1484 N ARG A 92 -1.614 3.960 7.088 1.00 0.28 N ATOM 1485 CA ARG A 92 -2.478 4.215 8.275 1.00 0.42 C ATOM 1486 C ARG A 92 -3.936 4.339 7.826 1.00 0.41 C ATOM 1487 O ARG A 92 -4.852 4.045 8.569 1.00 0.59 O ATOM 1488 CB ARG A 92 -2.042 5.518 8.953 1.00 0.58 C ATOM 1489 CG ARG A 92 -0.724 5.296 9.710 1.00 0.53 C ATOM 1490 CD ARG A 92 -0.952 4.367 10.914 1.00 0.15 C ATOM 1491 NE ARG A 92 -0.316 4.942 12.144 1.00 0.63 N ATOM 1492 CZ ARG A 92 0.908 5.406 12.124 1.00 1.73 C ATOM 1493 NH1 ARG A 92 1.635 5.306 11.046 1.00 3.24 N ATOM 1494 NH2 ARG A 92 1.412 5.950 13.199 1.00 2.04 N ATOM 0 H ARG A 92 -1.165 4.786 6.691 1.00 0.28 H new ATOM 0 HA ARG A 92 -2.382 3.388 8.979 1.00 0.42 H new ATOM 0 HB2 ARG A 92 -1.915 6.302 8.207 1.00 0.58 H new ATOM 0 HB3 ARG A 92 -2.815 5.856 9.643 1.00 0.58 H new ATOM 0 HG2 ARG A 92 0.019 4.861 9.041 1.00 0.53 H new ATOM 0 HG3 ARG A 92 -0.326 6.252 10.050 1.00 0.53 H new ATOM 0 HD2 ARG A 92 -2.021 4.230 11.079 1.00 0.15 H new ATOM 0 HD3 ARG A 92 -0.533 3.382 10.706 1.00 0.15 H new ATOM 0 HE ARG A 92 -0.848 4.972 13.014 1.00 0.63 H new ATOM 0 HH11 ARG A 92 1.251 4.864 10.211 1.00 3.24 H new ATOM 0 HH12 ARG A 92 2.588 5.670 11.038 1.00 3.24 H new ATOM 0 HH21 ARG A 92 0.852 6.012 14.050 1.00 2.04 H new ATOM 0 HH22 ARG A 92 2.365 6.313 13.188 1.00 2.04 H new ATOM 1508 N ASN A 93 -4.158 4.771 6.615 1.00 0.25 N ATOM 1509 CA ASN A 93 -5.556 4.913 6.119 1.00 0.22 C ATOM 1510 C ASN A 93 -6.235 3.541 6.107 1.00 0.29 C ATOM 1511 O ASN A 93 -7.316 3.368 6.634 1.00 0.45 O ATOM 1512 CB ASN A 93 -5.540 5.486 4.701 1.00 0.14 C ATOM 1513 CG ASN A 93 -5.118 6.955 4.748 1.00 0.44 C ATOM 1514 OD1 ASN A 93 -3.946 7.267 4.671 1.00 0.47 O ATOM 1515 ND2 ASN A 93 -6.031 7.880 4.874 1.00 1.45 N ATOM 0 H ASN A 93 -3.432 5.032 5.948 1.00 0.25 H new ATOM 0 HA ASN A 93 -6.107 5.586 6.776 1.00 0.22 H new ATOM 0 HB2 ASN A 93 -4.850 4.919 4.076 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -6.528 5.395 4.250 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -5.760 8.863 4.908 1.00 1.45 H new ATOM 0 HD22 ASN A 93 -7.015 7.620 4.939 1.00 1.45 H new ATOM 1522 N LEU A 94 -5.608 2.565 5.511 1.00 0.28 N ATOM 1523 CA LEU A 94 -6.219 1.206 5.466 1.00 0.47 C ATOM 1524 C LEU A 94 -6.452 0.704 6.892 1.00 0.59 C ATOM 1525 O LEU A 94 -7.568 0.661 7.370 1.00 0.92 O ATOM 1526 CB LEU A 94 -5.276 0.247 4.735 1.00 0.52 C ATOM 1527 CG LEU A 94 -4.879 0.849 3.386 1.00 0.47 C ATOM 1528 CD1 LEU A 94 -3.945 -0.114 2.651 1.00 0.66 C ATOM 1529 CD2 LEU A 94 -6.135 1.082 2.543 1.00 0.62 C ATOM 0 H LEU A 94 -4.700 2.649 5.054 1.00 0.28 H new ATOM 0 HA LEU A 94 -7.171 1.253 4.937 1.00 0.47 H new ATOM 0 HB2 LEU A 94 -4.387 0.064 5.339 1.00 0.52 H new ATOM 0 HB3 LEU A 94 -5.764 -0.716 4.586 1.00 0.52 H new ATOM 0 HG LEU A 94 -4.367 1.798 3.549 1.00 0.47 H new ATOM 0 HD11 LEU A 94 -3.663 0.316 1.690 1.00 0.66 H new ATOM 0 HD12 LEU A 94 -3.050 -0.282 3.251 1.00 0.66 H new ATOM 0 HD13 LEU A 94 -4.456 -1.063 2.488 1.00 0.66 H new ATOM 0 HD21 LEU A 94 -5.853 1.511 1.581 1.00 0.62 H new ATOM 0 HD22 LEU A 94 -6.646 0.133 2.381 1.00 0.62 H new ATOM 0 HD23 LEU A 94 -6.802 1.768 3.065 1.00 0.62 H new ATOM 1541 N TRP A 95 -5.408 0.323 7.575 1.00 0.36 N ATOM 1542 CA TRP A 95 -5.572 -0.176 8.969 1.00 0.48 C ATOM 1543 C TRP A 95 -6.472 0.783 9.752 1.00 0.59 C ATOM 1544 O TRP A 95 -6.987 0.449 10.801 1.00 0.68 O ATOM 1545 CB TRP A 95 -4.202 -0.256 9.647 1.00 0.38 C ATOM 1546 CG TRP A 95 -4.340 -0.928 10.974 1.00 0.32 C ATOM 1547 CD1 TRP A 95 -4.509 -0.290 12.155 1.00 0.46 C ATOM 1548 CD2 TRP A 95 -4.326 -2.354 11.278 1.00 0.20 C ATOM 1549 NE1 TRP A 95 -4.599 -1.232 13.164 1.00 0.48 N ATOM 1550 CE2 TRP A 95 -4.492 -2.519 12.674 1.00 0.33 C ATOM 1551 CE3 TRP A 95 -4.188 -3.507 10.485 1.00 0.13 C ATOM 1552 CZ2 TRP A 95 -4.520 -3.784 13.262 1.00 0.34 C ATOM 1553 CZ3 TRP A 95 -4.215 -4.782 11.075 1.00 0.17 C ATOM 1554 CH2 TRP A 95 -4.380 -4.919 12.460 1.00 0.25 C ATOM 0 H TRP A 95 -4.449 0.336 7.228 1.00 0.36 H new ATOM 0 HA TRP A 95 -6.026 -1.167 8.949 1.00 0.48 H new ATOM 0 HB2 TRP A 95 -3.505 -0.810 9.018 1.00 0.38 H new ATOM 0 HB3 TRP A 95 -3.789 0.745 9.776 1.00 0.38 H new ATOM 0 HD1 TRP A 95 -4.565 0.780 12.288 1.00 0.46 H new ATOM 0 HE1 TRP A 95 -4.729 -1.004 14.150 1.00 0.48 H new ATOM 0 HE3 TRP A 95 -4.061 -3.412 9.417 1.00 0.13 H new ATOM 0 HZ2 TRP A 95 -4.649 -3.885 14.330 1.00 0.34 H new ATOM 0 HZ3 TRP A 95 -4.108 -5.662 10.458 1.00 0.17 H new ATOM 0 HH2 TRP A 95 -4.399 -5.902 12.907 1.00 0.25 H new ATOM 1565 N GLY A 96 -6.666 1.971 9.251 1.00 0.62 N ATOM 1566 CA GLY A 96 -7.534 2.950 9.966 1.00 0.79 C ATOM 1567 C GLY A 96 -8.997 2.526 9.836 1.00 0.92 C ATOM 1568 O GLY A 96 -9.747 2.549 10.792 1.00 1.36 O ATOM 0 H GLY A 96 -6.261 2.307 8.377 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -7.252 3.002 11.018 1.00 0.79 H new ATOM 0 HA3 GLY A 96 -7.395 3.947 9.549 1.00 0.79 H new ATOM 1572 N LEU A 97 -9.411 2.138 8.661 1.00 0.69 N ATOM 1573 CA LEU A 97 -10.828 1.713 8.474 1.00 0.80 C ATOM 1574 C LEU A 97 -10.949 0.207 8.716 1.00 0.76 C ATOM 1575 O LEU A 97 -12.023 -0.358 8.650 1.00 0.83 O ATOM 1576 CB LEU A 97 -11.300 2.057 7.052 1.00 0.82 C ATOM 1577 CG LEU A 97 -10.322 1.505 5.997 1.00 0.67 C ATOM 1578 CD1 LEU A 97 -10.407 -0.026 5.914 1.00 0.62 C ATOM 1579 CD2 LEU A 97 -10.677 2.097 4.632 1.00 0.74 C ATOM 0 H LEU A 97 -8.831 2.097 7.823 1.00 0.69 H new ATOM 0 HA LEU A 97 -11.457 2.243 9.189 1.00 0.80 H new ATOM 0 HB2 LEU A 97 -12.294 1.642 6.884 1.00 0.82 H new ATOM 0 HB3 LEU A 97 -11.384 3.138 6.945 1.00 0.82 H new ATOM 0 HG LEU A 97 -9.308 1.782 6.285 1.00 0.67 H new ATOM 0 HD11 LEU A 97 -9.707 -0.389 5.162 1.00 0.62 H new ATOM 0 HD12 LEU A 97 -10.155 -0.457 6.883 1.00 0.62 H new ATOM 0 HD13 LEU A 97 -11.420 -0.320 5.638 1.00 0.62 H new ATOM 0 HD21 LEU A 97 -9.990 1.712 3.879 1.00 0.74 H new ATOM 0 HD22 LEU A 97 -11.697 1.818 4.369 1.00 0.74 H new ATOM 0 HD23 LEU A 97 -10.597 3.183 4.675 1.00 0.74 H new ATOM 1591 N ALA A 98 -9.855 -0.447 8.998 1.00 0.64 N ATOM 1592 CA ALA A 98 -9.910 -1.916 9.243 1.00 0.60 C ATOM 1593 C ALA A 98 -10.295 -2.175 10.702 1.00 0.69 C ATOM 1594 O ALA A 98 -11.278 -2.829 10.987 1.00 0.78 O ATOM 1595 CB ALA A 98 -8.537 -2.531 8.962 1.00 0.41 C ATOM 0 H ALA A 98 -8.928 -0.028 9.069 1.00 0.64 H new ATOM 0 HA ALA A 98 -10.653 -2.367 8.585 1.00 0.60 H new ATOM 0 HB1 ALA A 98 -8.576 -3.606 9.141 1.00 0.41 H new ATOM 0 HB2 ALA A 98 -8.261 -2.346 7.924 1.00 0.41 H new ATOM 0 HB3 ALA A 98 -7.795 -2.080 9.621 1.00 0.41 H new ATOM 1601 N GLY A 99 -9.527 -1.667 11.627 1.00 0.71 N ATOM 1602 CA GLY A 99 -9.851 -1.885 13.065 1.00 0.82 C ATOM 1603 C GLY A 99 -9.764 -3.377 13.389 1.00 0.74 C ATOM 1604 O GLY A 99 -10.463 -3.878 14.247 1.00 0.90 O ATOM 0 H GLY A 99 -8.690 -1.111 11.449 1.00 0.71 H new ATOM 0 HA2 GLY A 99 -9.158 -1.325 13.693 1.00 0.82 H new ATOM 0 HA3 GLY A 99 -10.852 -1.513 13.283 1.00 0.82 H new ATOM 1608 N LEU A 100 -8.912 -4.093 12.708 1.00 0.51 N ATOM 1609 CA LEU A 100 -8.782 -5.553 12.976 1.00 0.42 C ATOM 1610 C LEU A 100 -7.681 -5.784 14.013 1.00 0.37 C ATOM 1611 O LEU A 100 -6.640 -5.156 13.978 1.00 0.51 O ATOM 1612 CB LEU A 100 -8.422 -6.280 11.679 1.00 0.38 C ATOM 1613 CG LEU A 100 -9.612 -7.123 11.216 1.00 0.35 C ATOM 1614 CD1 LEU A 100 -9.355 -7.633 9.797 1.00 0.27 C ATOM 1615 CD2 LEU A 100 -9.792 -8.315 12.159 1.00 0.46 C ATOM 0 H LEU A 100 -8.300 -3.730 11.977 1.00 0.51 H new ATOM 0 HA LEU A 100 -9.728 -5.938 13.357 1.00 0.42 H new ATOM 0 HB2 LEU A 100 -8.153 -5.558 10.908 1.00 0.38 H new ATOM 0 HB3 LEU A 100 -7.552 -6.917 11.837 1.00 0.38 H new ATOM 0 HG LEU A 100 -10.514 -6.511 11.226 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -10.203 -8.234 9.467 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -9.227 -6.786 9.123 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -8.452 -8.244 9.788 1.00 0.27 H new ATOM 0 HD21 LEU A 100 -10.640 -8.915 11.829 1.00 0.46 H new ATOM 0 HD22 LEU A 100 -8.889 -8.926 12.150 1.00 0.46 H new ATOM 0 HD23 LEU A 100 -9.975 -7.954 13.171 1.00 0.46 H new ATOM 1627 N ASN A 101 -7.899 -6.681 14.935 1.00 0.29 N ATOM 1628 CA ASN A 101 -6.864 -6.951 15.973 1.00 0.35 C ATOM 1629 C ASN A 101 -5.897 -8.020 15.462 1.00 0.33 C ATOM 1630 O ASN A 101 -4.939 -7.726 14.776 1.00 0.46 O ATOM 1631 CB ASN A 101 -7.542 -7.445 17.253 1.00 0.45 C ATOM 1632 CG ASN A 101 -8.430 -6.338 17.823 1.00 0.76 C ATOM 1633 OD1 ASN A 101 -8.026 -5.194 17.889 1.00 1.28 O ATOM 1634 ND2 ASN A 101 -9.631 -6.630 18.240 1.00 2.19 N ATOM 0 H ASN A 101 -8.749 -7.239 15.015 1.00 0.29 H new ATOM 0 HA ASN A 101 -6.313 -6.034 16.185 1.00 0.35 H new ATOM 0 HB2 ASN A 101 -8.140 -8.332 17.041 1.00 0.45 H new ATOM 0 HB3 ASN A 101 -6.790 -7.735 17.986 1.00 0.45 H new ATOM 0 HD21 ASN A 101 -10.230 -5.898 18.621 1.00 2.19 H new ATOM 0 HD22 ASN A 101 -9.971 -7.590 18.185 1.00 2.19 H new ATOM 1641 N SER A 102 -6.140 -9.260 15.791 1.00 0.57 N ATOM 1642 CA SER A 102 -5.234 -10.346 15.324 1.00 0.55 C ATOM 1643 C SER A 102 -5.385 -10.520 13.811 1.00 0.40 C ATOM 1644 O SER A 102 -6.478 -10.492 13.280 1.00 0.37 O ATOM 1645 CB SER A 102 -5.599 -11.653 16.027 1.00 0.70 C ATOM 1646 OG SER A 102 -5.732 -12.686 15.059 1.00 1.56 O ATOM 0 H SER A 102 -6.927 -9.567 16.363 1.00 0.57 H new ATOM 0 HA SER A 102 -4.202 -10.084 15.559 1.00 0.55 H new ATOM 0 HB2 SER A 102 -4.830 -11.916 16.753 1.00 0.70 H new ATOM 0 HB3 SER A 102 -6.531 -11.534 16.579 1.00 0.70 H new ATOM 0 HG SER A 102 -5.965 -13.526 15.507 1.00 1.56 H new ATOM 1652 N CYS A 103 -4.298 -10.701 13.113 1.00 0.35 N ATOM 1653 CA CYS A 103 -4.381 -10.877 11.636 1.00 0.22 C ATOM 1654 C CYS A 103 -3.055 -11.439 11.106 1.00 0.26 C ATOM 1655 O CYS A 103 -2.338 -10.753 10.406 1.00 0.30 O ATOM 1656 CB CYS A 103 -4.649 -9.520 10.983 1.00 0.19 C ATOM 1657 SG CYS A 103 -4.580 -9.692 9.183 1.00 0.28 S ATOM 0 H CYS A 103 -3.356 -10.735 13.502 1.00 0.35 H new ATOM 0 HA CYS A 103 -5.188 -11.570 11.398 1.00 0.22 H new ATOM 0 HB2 CYS A 103 -5.627 -9.146 11.286 1.00 0.19 H new ATOM 0 HB3 CYS A 103 -3.911 -8.791 11.318 1.00 0.19 H new ATOM 1662 N PRO A 104 -2.761 -12.670 11.454 1.00 0.30 N ATOM 1663 CA PRO A 104 -1.516 -13.325 11.014 1.00 0.41 C ATOM 1664 C PRO A 104 -1.503 -13.465 9.488 1.00 0.43 C ATOM 1665 O PRO A 104 -2.535 -13.567 8.857 1.00 0.36 O ATOM 1666 CB PRO A 104 -1.535 -14.706 11.682 1.00 0.43 C ATOM 1667 CG PRO A 104 -2.846 -14.813 12.502 1.00 0.33 C ATOM 1668 CD PRO A 104 -3.631 -13.507 12.306 1.00 0.26 C ATOM 0 HA PRO A 104 -0.629 -12.753 11.288 1.00 0.41 H new ATOM 0 HB2 PRO A 104 -1.488 -15.495 10.931 1.00 0.43 H new ATOM 0 HB3 PRO A 104 -0.667 -14.830 12.330 1.00 0.43 H new ATOM 0 HG2 PRO A 104 -3.436 -15.667 12.169 1.00 0.33 H new ATOM 0 HG3 PRO A 104 -2.624 -14.971 13.558 1.00 0.33 H new ATOM 0 HD2 PRO A 104 -4.593 -13.691 11.829 1.00 0.26 H new ATOM 0 HD3 PRO A 104 -3.836 -13.021 13.260 1.00 0.26 H new ATOM 1676 N VAL A 105 -0.341 -13.472 8.894 1.00 0.56 N ATOM 1677 CA VAL A 105 -0.262 -13.606 7.412 1.00 0.63 C ATOM 1678 C VAL A 105 -0.106 -15.083 7.042 1.00 0.75 C ATOM 1679 O VAL A 105 0.542 -15.841 7.734 1.00 0.74 O ATOM 1680 CB VAL A 105 0.943 -12.820 6.892 1.00 0.74 C ATOM 1681 CG1 VAL A 105 2.226 -13.390 7.499 1.00 0.76 C ATOM 1682 CG2 VAL A 105 1.006 -12.937 5.367 1.00 0.83 C ATOM 0 H VAL A 105 0.557 -13.391 9.371 1.00 0.56 H new ATOM 0 HA VAL A 105 -1.173 -13.212 6.962 1.00 0.63 H new ATOM 0 HB VAL A 105 0.843 -11.772 7.174 1.00 0.74 H new ATOM 0 HG11 VAL A 105 3.084 -12.830 7.128 1.00 0.76 H new ATOM 0 HG12 VAL A 105 2.182 -13.309 8.585 1.00 0.76 H new ATOM 0 HG13 VAL A 105 2.328 -14.438 7.217 1.00 0.76 H new ATOM 0 HG21 VAL A 105 1.864 -12.378 4.994 1.00 0.83 H new ATOM 0 HG22 VAL A 105 1.107 -13.985 5.086 1.00 0.83 H new ATOM 0 HG23 VAL A 105 0.092 -12.531 4.933 1.00 0.83 H new ATOM 1692 N LYS A 106 -0.696 -15.496 5.954 1.00 0.93 N ATOM 1693 CA LYS A 106 -0.581 -16.923 5.540 1.00 1.08 C ATOM 1694 C LYS A 106 0.604 -17.084 4.586 1.00 1.11 C ATOM 1695 O LYS A 106 1.700 -16.638 4.861 1.00 1.09 O ATOM 1696 CB LYS A 106 -1.867 -17.355 4.832 1.00 1.12 C ATOM 1697 CG LYS A 106 -3.056 -17.180 5.781 1.00 2.27 C ATOM 1698 CD LYS A 106 -4.166 -18.158 5.393 1.00 2.52 C ATOM 1699 CE LYS A 106 -3.965 -19.480 6.136 1.00 2.36 C ATOM 1700 NZ LYS A 106 -4.288 -19.293 7.579 1.00 3.35 N ATOM 0 H LYS A 106 -1.252 -14.907 5.334 1.00 0.93 H new ATOM 0 HA LYS A 106 -0.425 -17.545 6.422 1.00 1.08 H new ATOM 0 HB2 LYS A 106 -2.016 -16.760 3.931 1.00 1.12 H new ATOM 0 HB3 LYS A 106 -1.789 -18.396 4.517 1.00 1.12 H new ATOM 0 HG2 LYS A 106 -2.743 -17.358 6.810 1.00 2.27 H new ATOM 0 HG3 LYS A 106 -3.426 -16.156 5.733 1.00 2.27 H new ATOM 0 HD2 LYS A 106 -5.140 -17.735 5.639 1.00 2.52 H new ATOM 0 HD3 LYS A 106 -4.155 -18.328 4.316 1.00 2.52 H new ATOM 0 HE2 LYS A 106 -4.604 -20.252 5.706 1.00 2.36 H new ATOM 0 HE3 LYS A 106 -2.935 -19.820 6.024 1.00 2.36 H new ATOM 0 HZ1 LYS A 106 -4.582 -20.202 7.990 1.00 3.35 H new ATOM 0 HZ2 LYS A 106 -3.447 -18.943 8.080 1.00 3.35 H new ATOM 0 HZ3 LYS A 106 -5.061 -18.604 7.675 1.00 3.35 H new ATOM 1714 N GLU A 107 0.393 -17.717 3.464 1.00 1.17 N ATOM 1715 CA GLU A 107 1.508 -17.906 2.493 1.00 1.22 C ATOM 1716 C GLU A 107 1.506 -16.755 1.485 1.00 0.58 C ATOM 1717 O GLU A 107 0.699 -15.849 1.564 1.00 0.86 O ATOM 1718 CB GLU A 107 1.322 -19.232 1.754 1.00 2.02 C ATOM 1719 CG GLU A 107 1.482 -20.393 2.737 1.00 2.86 C ATOM 1720 CD GLU A 107 0.283 -21.334 2.616 1.00 4.49 C ATOM 1721 OE1 GLU A 107 -0.835 -20.855 2.715 1.00 5.65 O ATOM 1722 OE2 GLU A 107 0.502 -22.519 2.427 1.00 4.86 O ATOM 0 H GLU A 107 -0.503 -18.111 3.178 1.00 1.17 H new ATOM 0 HA GLU A 107 2.458 -17.919 3.028 1.00 1.22 H new ATOM 0 HB2 GLU A 107 0.336 -19.267 1.291 1.00 2.02 H new ATOM 0 HB3 GLU A 107 2.054 -19.318 0.951 1.00 2.02 H new ATOM 0 HG2 GLU A 107 2.405 -20.934 2.529 1.00 2.86 H new ATOM 0 HG3 GLU A 107 1.558 -20.013 3.756 1.00 2.86 H new ATOM 1729 N ALA A 108 2.403 -16.782 0.538 1.00 0.52 N ATOM 1730 CA ALA A 108 2.450 -15.690 -0.474 1.00 0.62 C ATOM 1731 C ALA A 108 3.726 -15.823 -1.309 1.00 0.52 C ATOM 1732 O ALA A 108 4.813 -15.960 -0.781 1.00 0.75 O ATOM 1733 CB ALA A 108 2.446 -14.335 0.237 1.00 1.06 C ATOM 0 H ALA A 108 3.105 -17.513 0.421 1.00 0.52 H new ATOM 0 HA ALA A 108 1.579 -15.761 -1.126 1.00 0.62 H new ATOM 0 HB1 ALA A 108 2.480 -13.536 -0.503 1.00 1.06 H new ATOM 0 HB2 ALA A 108 1.538 -14.239 0.833 1.00 1.06 H new ATOM 0 HB3 ALA A 108 3.317 -14.264 0.889 1.00 1.06 H new ATOM 1739 N ASP A 109 3.604 -15.784 -2.607 1.00 0.20 N ATOM 1740 CA ASP A 109 4.810 -15.908 -3.473 1.00 0.23 C ATOM 1741 C ASP A 109 5.627 -14.617 -3.399 1.00 0.21 C ATOM 1742 O ASP A 109 6.104 -14.232 -2.349 1.00 0.22 O ATOM 1743 CB ASP A 109 4.376 -16.155 -4.920 1.00 0.26 C ATOM 1744 CG ASP A 109 3.537 -17.432 -4.991 1.00 0.26 C ATOM 1745 OD1 ASP A 109 3.747 -18.302 -4.163 1.00 0.94 O ATOM 1746 OD2 ASP A 109 2.697 -17.517 -5.873 1.00 0.61 O ATOM 0 H ASP A 109 2.721 -15.672 -3.106 1.00 0.20 H new ATOM 0 HA ASP A 109 5.420 -16.743 -3.129 1.00 0.23 H new ATOM 0 HB2 ASP A 109 3.798 -15.307 -5.287 1.00 0.26 H new ATOM 0 HB3 ASP A 109 5.252 -16.246 -5.563 1.00 0.26 H new ATOM 1751 N GLN A 110 5.792 -13.944 -4.505 1.00 0.21 N ATOM 1752 CA GLN A 110 6.578 -12.678 -4.496 1.00 0.25 C ATOM 1753 C GLN A 110 6.007 -11.716 -5.539 1.00 0.21 C ATOM 1754 O GLN A 110 5.353 -12.123 -6.480 1.00 0.16 O ATOM 1755 CB GLN A 110 8.040 -12.984 -4.831 1.00 0.27 C ATOM 1756 CG GLN A 110 8.931 -12.555 -3.663 1.00 0.76 C ATOM 1757 CD GLN A 110 8.595 -13.395 -2.429 1.00 2.08 C ATOM 1758 OE1 GLN A 110 8.190 -12.868 -1.413 1.00 3.32 O ATOM 1759 NE2 GLN A 110 8.748 -14.691 -2.476 1.00 2.55 N ATOM 0 H GLN A 110 5.417 -14.216 -5.414 1.00 0.21 H new ATOM 0 HA GLN A 110 6.519 -12.220 -3.509 1.00 0.25 H new ATOM 0 HB2 GLN A 110 8.165 -14.049 -5.025 1.00 0.27 H new ATOM 0 HB3 GLN A 110 8.334 -12.458 -5.739 1.00 0.27 H new ATOM 0 HG2 GLN A 110 9.981 -12.681 -3.927 1.00 0.76 H new ATOM 0 HG3 GLN A 110 8.782 -11.497 -3.447 1.00 0.76 H new ATOM 0 HE21 GLN A 110 9.088 -15.134 -3.330 1.00 2.55 H new ATOM 0 HE22 GLN A 110 8.527 -15.261 -1.659 1.00 2.55 H new ATOM 1768 N SER A 111 6.247 -10.444 -5.381 1.00 0.24 N ATOM 1769 CA SER A 111 5.716 -9.458 -6.364 1.00 0.22 C ATOM 1770 C SER A 111 6.594 -8.204 -6.353 1.00 0.21 C ATOM 1771 O SER A 111 7.298 -7.936 -5.400 1.00 0.34 O ATOM 1772 CB SER A 111 4.284 -9.081 -5.985 1.00 0.32 C ATOM 1773 OG SER A 111 4.221 -8.815 -4.590 1.00 0.42 O ATOM 0 H SER A 111 6.788 -10.044 -4.614 1.00 0.24 H new ATOM 0 HA SER A 111 5.724 -9.898 -7.361 1.00 0.22 H new ATOM 0 HB2 SER A 111 3.965 -8.204 -6.549 1.00 0.32 H new ATOM 0 HB3 SER A 111 3.602 -9.891 -6.243 1.00 0.32 H new ATOM 0 HG SER A 111 5.121 -8.871 -4.205 1.00 0.42 H new ATOM 1779 N THR A 112 6.556 -7.433 -7.406 1.00 0.13 N ATOM 1780 CA THR A 112 7.388 -6.198 -7.455 1.00 0.10 C ATOM 1781 C THR A 112 6.571 -5.012 -6.940 1.00 0.11 C ATOM 1782 O THR A 112 5.382 -4.916 -7.173 1.00 0.14 O ATOM 1783 CB THR A 112 7.821 -5.931 -8.898 1.00 0.09 C ATOM 1784 OG1 THR A 112 6.706 -6.098 -9.763 1.00 0.14 O ATOM 1785 CG2 THR A 112 8.927 -6.912 -9.292 1.00 0.13 C ATOM 0 H THR A 112 5.985 -7.605 -8.234 1.00 0.13 H new ATOM 0 HA THR A 112 8.271 -6.330 -6.830 1.00 0.10 H new ATOM 0 HB THR A 112 8.198 -4.912 -8.982 1.00 0.09 H new ATOM 0 HG1 THR A 112 6.803 -5.508 -10.539 1.00 0.14 H new ATOM 0 HG21 THR A 112 9.234 -6.720 -10.320 1.00 0.13 H new ATOM 0 HG22 THR A 112 9.782 -6.783 -8.628 1.00 0.13 H new ATOM 0 HG23 THR A 112 8.554 -7.933 -9.209 1.00 0.13 H new ATOM 1793 N LEU A 113 7.198 -4.106 -6.240 1.00 0.13 N ATOM 1794 CA LEU A 113 6.456 -2.927 -5.712 1.00 0.16 C ATOM 1795 C LEU A 113 5.701 -2.249 -6.858 1.00 0.17 C ATOM 1796 O LEU A 113 4.697 -1.596 -6.651 1.00 0.27 O ATOM 1797 CB LEU A 113 7.450 -1.938 -5.093 1.00 0.18 C ATOM 1798 CG LEU A 113 6.696 -0.776 -4.432 1.00 0.23 C ATOM 1799 CD1 LEU A 113 5.847 -1.293 -3.266 1.00 0.18 C ATOM 1800 CD2 LEU A 113 7.705 0.247 -3.907 1.00 0.27 C ATOM 0 H LEU A 113 8.192 -4.132 -6.011 1.00 0.13 H new ATOM 0 HA LEU A 113 5.745 -3.250 -4.951 1.00 0.16 H new ATOM 0 HB2 LEU A 113 8.069 -2.447 -4.354 1.00 0.18 H new ATOM 0 HB3 LEU A 113 8.121 -1.556 -5.862 1.00 0.18 H new ATOM 0 HG LEU A 113 6.043 -0.310 -5.169 1.00 0.23 H new ATOM 0 HD11 LEU A 113 5.317 -0.460 -2.805 1.00 0.18 H new ATOM 0 HD12 LEU A 113 5.126 -2.022 -3.636 1.00 0.18 H new ATOM 0 HD13 LEU A 113 6.494 -1.766 -2.527 1.00 0.18 H new ATOM 0 HD21 LEU A 113 7.173 1.074 -3.437 1.00 0.27 H new ATOM 0 HD22 LEU A 113 8.357 -0.228 -3.175 1.00 0.27 H new ATOM 0 HD23 LEU A 113 8.304 0.625 -4.735 1.00 0.27 H new ATOM 1812 N GLU A 114 6.174 -2.399 -8.064 1.00 0.12 N ATOM 1813 CA GLU A 114 5.481 -1.764 -9.220 1.00 0.13 C ATOM 1814 C GLU A 114 4.226 -2.567 -9.565 1.00 0.15 C ATOM 1815 O GLU A 114 3.120 -2.173 -9.253 1.00 0.16 O ATOM 1816 CB GLU A 114 6.421 -1.741 -10.428 1.00 0.14 C ATOM 1817 CG GLU A 114 5.811 -0.879 -11.534 1.00 0.15 C ATOM 1818 CD GLU A 114 6.735 -0.882 -12.753 1.00 0.60 C ATOM 1819 OE1 GLU A 114 7.244 -1.940 -13.083 1.00 1.73 O ATOM 1820 OE2 GLU A 114 6.919 0.175 -13.336 1.00 1.01 O ATOM 0 H GLU A 114 7.010 -2.934 -8.299 1.00 0.12 H new ATOM 0 HA GLU A 114 5.199 -0.744 -8.960 1.00 0.13 H new ATOM 0 HB2 GLU A 114 7.394 -1.344 -10.138 1.00 0.14 H new ATOM 0 HB3 GLU A 114 6.587 -2.755 -10.792 1.00 0.14 H new ATOM 0 HG2 GLU A 114 4.828 -1.263 -11.808 1.00 0.15 H new ATOM 0 HG3 GLU A 114 5.666 0.141 -11.177 1.00 0.15 H new ATOM 1827 N ASN A 115 4.388 -3.693 -10.207 1.00 0.17 N ATOM 1828 CA ASN A 115 3.203 -4.519 -10.569 1.00 0.19 C ATOM 1829 C ASN A 115 2.291 -4.663 -9.349 1.00 0.20 C ATOM 1830 O ASN A 115 1.083 -4.726 -9.468 1.00 0.33 O ATOM 1831 CB ASN A 115 3.666 -5.904 -11.026 1.00 0.22 C ATOM 1832 CG ASN A 115 4.657 -5.754 -12.183 1.00 0.47 C ATOM 1833 OD1 ASN A 115 4.650 -4.760 -12.879 1.00 1.14 O ATOM 1834 ND2 ASN A 115 5.515 -6.709 -12.417 1.00 1.50 N ATOM 0 H ASN A 115 5.289 -4.075 -10.495 1.00 0.17 H new ATOM 0 HA ASN A 115 2.656 -4.034 -11.378 1.00 0.19 H new ATOM 0 HB2 ASN A 115 4.135 -6.434 -10.197 1.00 0.22 H new ATOM 0 HB3 ASN A 115 2.810 -6.500 -11.341 1.00 0.22 H new ATOM 0 HD21 ASN A 115 6.180 -6.620 -13.185 1.00 1.50 H new ATOM 0 HD22 ASN A 115 5.521 -7.544 -11.832 1.00 1.50 H new ATOM 1841 N PHE A 116 2.860 -4.716 -8.176 1.00 0.20 N ATOM 1842 CA PHE A 116 2.026 -4.855 -6.948 1.00 0.19 C ATOM 1843 C PHE A 116 1.123 -3.628 -6.806 1.00 0.18 C ATOM 1844 O PHE A 116 -0.053 -3.741 -6.522 1.00 0.17 O ATOM 1845 CB PHE A 116 2.937 -4.964 -5.724 1.00 0.18 C ATOM 1846 CG PHE A 116 2.095 -4.983 -4.470 1.00 0.16 C ATOM 1847 CD1 PHE A 116 1.614 -3.784 -3.931 1.00 0.13 C ATOM 1848 CD2 PHE A 116 1.795 -6.200 -3.847 1.00 0.22 C ATOM 1849 CE1 PHE A 116 0.834 -3.801 -2.769 1.00 0.13 C ATOM 1850 CE2 PHE A 116 1.015 -6.218 -2.685 1.00 0.21 C ATOM 1851 CZ PHE A 116 0.534 -5.018 -2.146 1.00 0.14 C ATOM 0 H PHE A 116 3.866 -4.669 -8.014 1.00 0.20 H new ATOM 0 HA PHE A 116 1.411 -5.752 -7.023 1.00 0.19 H new ATOM 0 HB2 PHE A 116 3.539 -5.871 -5.785 1.00 0.18 H new ATOM 0 HB3 PHE A 116 3.630 -4.123 -5.697 1.00 0.18 H new ATOM 0 HD1 PHE A 116 1.845 -2.845 -4.412 1.00 0.13 H new ATOM 0 HD2 PHE A 116 2.165 -7.125 -4.263 1.00 0.22 H new ATOM 0 HE1 PHE A 116 0.464 -2.876 -2.353 1.00 0.13 H new ATOM 0 HE2 PHE A 116 0.784 -7.157 -2.204 1.00 0.21 H new ATOM 0 HZ PHE A 116 -0.068 -5.032 -1.250 1.00 0.14 H new ATOM 1861 N LEU A 117 1.664 -2.457 -7.001 1.00 0.20 N ATOM 1862 CA LEU A 117 0.835 -1.224 -6.877 1.00 0.19 C ATOM 1863 C LEU A 117 -0.182 -1.177 -8.019 1.00 0.15 C ATOM 1864 O LEU A 117 -1.181 -0.490 -7.947 1.00 0.21 O ATOM 1865 CB LEU A 117 1.739 0.009 -6.949 1.00 0.20 C ATOM 1866 CG LEU A 117 2.098 0.465 -5.533 1.00 0.22 C ATOM 1867 CD1 LEU A 117 3.352 1.339 -5.582 1.00 0.21 C ATOM 1868 CD2 LEU A 117 0.939 1.277 -4.945 1.00 0.39 C ATOM 0 H LEU A 117 2.643 -2.300 -7.241 1.00 0.20 H new ATOM 0 HA LEU A 117 0.310 -1.234 -5.922 1.00 0.19 H new ATOM 0 HB2 LEU A 117 2.645 -0.224 -7.508 1.00 0.20 H new ATOM 0 HB3 LEU A 117 1.233 0.813 -7.484 1.00 0.20 H new ATOM 0 HG LEU A 117 2.284 -0.409 -4.909 1.00 0.22 H new ATOM 0 HD11 LEU A 117 3.608 1.664 -4.574 1.00 0.21 H new ATOM 0 HD12 LEU A 117 4.179 0.765 -6.000 1.00 0.21 H new ATOM 0 HD13 LEU A 117 3.163 2.211 -6.208 1.00 0.21 H new ATOM 0 HD21 LEU A 117 1.196 1.601 -3.937 1.00 0.39 H new ATOM 0 HD22 LEU A 117 0.753 2.150 -5.570 1.00 0.39 H new ATOM 0 HD23 LEU A 117 0.042 0.658 -4.910 1.00 0.39 H new ATOM 1880 N GLU A 118 0.064 -1.904 -9.075 1.00 0.08 N ATOM 1881 CA GLU A 118 -0.888 -1.901 -10.222 1.00 0.06 C ATOM 1882 C GLU A 118 -2.093 -2.784 -9.887 1.00 0.09 C ATOM 1883 O GLU A 118 -3.191 -2.302 -9.688 1.00 0.15 O ATOM 1884 CB GLU A 118 -0.188 -2.446 -11.468 1.00 0.07 C ATOM 1885 CG GLU A 118 -1.019 -2.108 -12.708 1.00 0.10 C ATOM 1886 CD GLU A 118 -0.434 -0.872 -13.394 1.00 0.71 C ATOM 1887 OE1 GLU A 118 -0.212 0.112 -12.708 1.00 1.85 O ATOM 1888 OE2 GLU A 118 -0.219 -0.930 -14.593 1.00 0.89 O ATOM 0 H GLU A 118 0.883 -2.500 -9.193 1.00 0.08 H new ATOM 0 HA GLU A 118 -1.225 -0.882 -10.411 1.00 0.06 H new ATOM 0 HB2 GLU A 118 0.809 -2.014 -11.556 1.00 0.07 H new ATOM 0 HB3 GLU A 118 -0.062 -3.525 -11.385 1.00 0.07 H new ATOM 0 HG2 GLU A 118 -1.022 -2.952 -13.398 1.00 0.10 H new ATOM 0 HG3 GLU A 118 -2.055 -1.923 -12.425 1.00 0.10 H new ATOM 1895 N ARG A 119 -1.896 -4.072 -9.822 1.00 0.19 N ATOM 1896 CA ARG A 119 -3.030 -4.984 -9.500 1.00 0.21 C ATOM 1897 C ARG A 119 -3.792 -4.441 -8.290 1.00 0.21 C ATOM 1898 O ARG A 119 -5.001 -4.540 -8.209 1.00 0.23 O ATOM 1899 CB ARG A 119 -2.488 -6.379 -9.178 1.00 0.22 C ATOM 1900 CG ARG A 119 -1.570 -6.301 -7.957 1.00 0.17 C ATOM 1901 CD ARG A 119 -0.485 -7.373 -8.063 1.00 0.54 C ATOM 1902 NE ARG A 119 -1.072 -8.620 -8.631 1.00 0.36 N ATOM 1903 CZ ARG A 119 -0.291 -9.561 -9.087 1.00 0.64 C ATOM 1904 NH1 ARG A 119 1.004 -9.409 -9.047 1.00 1.17 N ATOM 1905 NH2 ARG A 119 -0.806 -10.652 -9.584 1.00 0.56 N ATOM 0 H ARG A 119 -0.999 -4.532 -9.978 1.00 0.19 H new ATOM 0 HA ARG A 119 -3.702 -5.045 -10.356 1.00 0.21 H new ATOM 0 HB2 ARG A 119 -3.312 -7.065 -8.983 1.00 0.22 H new ATOM 0 HB3 ARG A 119 -1.940 -6.774 -10.033 1.00 0.22 H new ATOM 0 HG2 ARG A 119 -1.114 -5.313 -7.894 1.00 0.17 H new ATOM 0 HG3 ARG A 119 -2.149 -6.444 -7.044 1.00 0.17 H new ATOM 0 HD2 ARG A 119 0.329 -7.020 -8.696 1.00 0.54 H new ATOM 0 HD3 ARG A 119 -0.060 -7.574 -7.080 1.00 0.54 H new ATOM 0 HE ARG A 119 -2.085 -8.738 -8.663 1.00 0.36 H new ATOM 0 HH11 ARG A 119 1.406 -8.555 -8.660 1.00 1.17 H new ATOM 0 HH12 ARG A 119 1.615 -10.144 -9.403 1.00 1.17 H new ATOM 0 HH21 ARG A 119 -1.819 -10.769 -9.616 1.00 0.56 H new ATOM 0 HH22 ARG A 119 -0.196 -11.388 -9.940 1.00 0.56 H new ATOM 1919 N LEU A 120 -3.096 -3.867 -7.346 1.00 0.20 N ATOM 1920 CA LEU A 120 -3.782 -3.319 -6.142 1.00 0.20 C ATOM 1921 C LEU A 120 -4.621 -2.107 -6.551 1.00 0.20 C ATOM 1922 O LEU A 120 -5.826 -2.092 -6.390 1.00 0.21 O ATOM 1923 CB LEU A 120 -2.732 -2.893 -5.110 1.00 0.21 C ATOM 1924 CG LEU A 120 -3.369 -2.818 -3.717 1.00 0.23 C ATOM 1925 CD1 LEU A 120 -2.287 -2.497 -2.683 1.00 0.26 C ATOM 1926 CD2 LEU A 120 -4.438 -1.721 -3.686 1.00 0.21 C ATOM 0 H LEU A 120 -2.082 -3.754 -7.357 1.00 0.20 H new ATOM 0 HA LEU A 120 -4.429 -4.080 -5.706 1.00 0.20 H new ATOM 0 HB2 LEU A 120 -1.906 -3.604 -5.104 1.00 0.21 H new ATOM 0 HB3 LEU A 120 -2.315 -1.923 -5.381 1.00 0.21 H new ATOM 0 HG LEU A 120 -3.833 -3.777 -3.485 1.00 0.23 H new ATOM 0 HD11 LEU A 120 -2.736 -2.443 -1.691 1.00 0.26 H new ATOM 0 HD12 LEU A 120 -1.528 -3.279 -2.696 1.00 0.26 H new ATOM 0 HD13 LEU A 120 -1.825 -1.540 -2.925 1.00 0.26 H new ATOM 0 HD21 LEU A 120 -4.884 -1.676 -2.693 1.00 0.21 H new ATOM 0 HD22 LEU A 120 -3.980 -0.760 -3.922 1.00 0.21 H new ATOM 0 HD23 LEU A 120 -5.211 -1.945 -4.421 1.00 0.21 H new ATOM 1938 N LYS A 121 -3.996 -1.091 -7.079 1.00 0.19 N ATOM 1939 CA LYS A 121 -4.760 0.118 -7.497 1.00 0.21 C ATOM 1940 C LYS A 121 -5.950 -0.303 -8.360 1.00 0.24 C ATOM 1941 O LYS A 121 -7.051 0.182 -8.195 1.00 0.25 O ATOM 1942 CB LYS A 121 -3.847 1.044 -8.305 1.00 0.25 C ATOM 1943 CG LYS A 121 -4.496 2.424 -8.424 1.00 0.37 C ATOM 1944 CD LYS A 121 -4.001 3.113 -9.698 1.00 0.27 C ATOM 1945 CE LYS A 121 -4.884 2.702 -10.878 1.00 1.00 C ATOM 1946 NZ LYS A 121 -4.101 2.799 -12.143 1.00 1.06 N ATOM 0 H LYS A 121 -2.990 -1.046 -7.239 1.00 0.19 H new ATOM 0 HA LYS A 121 -5.121 0.643 -6.613 1.00 0.21 H new ATOM 0 HB2 LYS A 121 -2.875 1.128 -7.819 1.00 0.25 H new ATOM 0 HB3 LYS A 121 -3.673 0.626 -9.296 1.00 0.25 H new ATOM 0 HG2 LYS A 121 -5.581 2.326 -8.449 1.00 0.37 H new ATOM 0 HG3 LYS A 121 -4.251 3.030 -7.552 1.00 0.37 H new ATOM 0 HD2 LYS A 121 -4.026 4.195 -9.572 1.00 0.27 H new ATOM 0 HD3 LYS A 121 -2.964 2.838 -9.893 1.00 0.27 H new ATOM 0 HE2 LYS A 121 -5.245 1.683 -10.738 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -5.762 3.346 -10.931 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -4.701 2.520 -12.945 1.00 1.06 H new ATOM 0 HZ2 LYS A 121 -3.778 3.778 -12.277 1.00 1.06 H new ATOM 0 HZ3 LYS A 121 -3.277 2.167 -12.091 1.00 1.06 H new ATOM 1960 N THR A 122 -5.737 -1.204 -9.280 1.00 0.27 N ATOM 1961 CA THR A 122 -6.857 -1.657 -10.153 1.00 0.32 C ATOM 1962 C THR A 122 -7.979 -2.230 -9.286 1.00 0.33 C ATOM 1963 O THR A 122 -9.118 -1.817 -9.374 1.00 0.41 O ATOM 1964 CB THR A 122 -6.352 -2.736 -11.114 1.00 0.29 C ATOM 1965 OG1 THR A 122 -5.299 -2.206 -11.906 1.00 0.36 O ATOM 1966 CG2 THR A 122 -7.496 -3.191 -12.021 1.00 0.22 C ATOM 0 H THR A 122 -4.836 -1.646 -9.465 1.00 0.27 H new ATOM 0 HA THR A 122 -7.236 -0.811 -10.726 1.00 0.32 H new ATOM 0 HB THR A 122 -5.984 -3.589 -10.543 1.00 0.29 H new ATOM 0 HG1 THR A 122 -4.483 -2.144 -11.367 1.00 0.36 H new ATOM 0 HG21 THR A 122 -7.135 -3.959 -12.705 1.00 0.22 H new ATOM 0 HG22 THR A 122 -8.303 -3.598 -11.412 1.00 0.22 H new ATOM 0 HG23 THR A 122 -7.866 -2.341 -12.594 1.00 0.22 H new ATOM 1974 N ILE A 123 -7.667 -3.180 -8.447 1.00 0.29 N ATOM 1975 CA ILE A 123 -8.717 -3.778 -7.575 1.00 0.35 C ATOM 1976 C ILE A 123 -9.465 -2.664 -6.840 1.00 0.35 C ATOM 1977 O ILE A 123 -10.679 -2.634 -6.809 1.00 0.52 O ATOM 1978 CB ILE A 123 -8.061 -4.711 -6.555 1.00 0.36 C ATOM 1979 CG1 ILE A 123 -7.582 -5.981 -7.262 1.00 0.42 C ATOM 1980 CG2 ILE A 123 -9.078 -5.083 -5.475 1.00 0.47 C ATOM 1981 CD1 ILE A 123 -6.597 -6.726 -6.360 1.00 0.44 C ATOM 0 H ILE A 123 -6.731 -3.567 -8.328 1.00 0.29 H new ATOM 0 HA ILE A 123 -9.419 -4.344 -8.187 1.00 0.35 H new ATOM 0 HB ILE A 123 -7.211 -4.207 -6.095 1.00 0.36 H new ATOM 0 HG12 ILE A 123 -8.432 -6.622 -7.497 1.00 0.42 H new ATOM 0 HG13 ILE A 123 -7.104 -5.725 -8.208 1.00 0.42 H new ATOM 0 HG21 ILE A 123 -8.611 -5.748 -4.748 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -9.421 -4.179 -4.972 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -9.928 -5.588 -5.934 1.00 0.47 H new ATOM 0 HD11 ILE A 123 -6.256 -7.631 -6.863 1.00 0.44 H new ATOM 0 HD12 ILE A 123 -5.742 -6.084 -6.147 1.00 0.44 H new ATOM 0 HD13 ILE A 123 -7.091 -6.995 -5.426 1.00 0.44 H new ATOM 1993 N MET A 124 -8.749 -1.747 -6.248 1.00 0.23 N ATOM 1994 CA MET A 124 -9.420 -0.636 -5.516 1.00 0.28 C ATOM 1995 C MET A 124 -10.494 -0.011 -6.410 1.00 0.35 C ATOM 1996 O MET A 124 -11.645 0.090 -6.035 1.00 0.43 O ATOM 1997 CB MET A 124 -8.385 0.428 -5.144 1.00 0.33 C ATOM 1998 CG MET A 124 -7.705 0.042 -3.829 1.00 0.20 C ATOM 1999 SD MET A 124 -8.738 0.567 -2.440 1.00 0.37 S ATOM 2000 CE MET A 124 -7.537 0.240 -1.126 1.00 0.58 C ATOM 0 H MET A 124 -7.729 -1.719 -6.240 1.00 0.23 H new ATOM 0 HA MET A 124 -9.883 -1.026 -4.610 1.00 0.28 H new ATOM 0 HB2 MET A 124 -7.642 0.520 -5.936 1.00 0.33 H new ATOM 0 HB3 MET A 124 -8.867 1.400 -5.044 1.00 0.33 H new ATOM 0 HG2 MET A 124 -7.547 -1.036 -3.792 1.00 0.20 H new ATOM 0 HG3 MET A 124 -6.723 0.511 -3.764 1.00 0.20 H new ATOM 0 HE1 MET A 124 -7.974 0.498 -0.161 1.00 0.58 H new ATOM 0 HE2 MET A 124 -7.270 -0.817 -1.132 1.00 0.58 H new ATOM 0 HE3 MET A 124 -6.643 0.841 -1.292 1.00 0.58 H new ATOM 2010 N ARG A 125 -10.127 0.407 -7.589 1.00 0.36 N ATOM 2011 CA ARG A 125 -11.126 1.024 -8.506 1.00 0.44 C ATOM 2012 C ARG A 125 -12.260 0.031 -8.768 1.00 0.45 C ATOM 2013 O ARG A 125 -13.371 0.411 -9.079 1.00 0.53 O ATOM 2014 CB ARG A 125 -10.450 1.387 -9.827 1.00 0.46 C ATOM 2015 CG ARG A 125 -10.043 2.862 -9.804 1.00 0.69 C ATOM 2016 CD ARG A 125 -8.932 3.101 -10.824 1.00 1.12 C ATOM 2017 NE ARG A 125 -9.429 2.766 -12.188 1.00 1.73 N ATOM 2018 CZ ARG A 125 -8.770 3.167 -13.240 1.00 2.51 C ATOM 2019 NH1 ARG A 125 -7.674 3.861 -13.097 1.00 2.55 N ATOM 2020 NH2 ARG A 125 -9.205 2.874 -14.435 1.00 3.41 N ATOM 0 H ARG A 125 -9.178 0.348 -7.958 1.00 0.36 H new ATOM 0 HA ARG A 125 -11.532 1.925 -8.047 1.00 0.44 H new ATOM 0 HB2 ARG A 125 -9.573 0.759 -9.983 1.00 0.46 H new ATOM 0 HB3 ARG A 125 -11.129 1.199 -10.659 1.00 0.46 H new ATOM 0 HG2 ARG A 125 -10.903 3.491 -10.034 1.00 0.69 H new ATOM 0 HG3 ARG A 125 -9.702 3.140 -8.807 1.00 0.69 H new ATOM 0 HD2 ARG A 125 -8.609 4.141 -10.789 1.00 1.12 H new ATOM 0 HD3 ARG A 125 -8.063 2.489 -10.581 1.00 1.12 H new ATOM 0 HE ARG A 125 -10.285 2.223 -12.299 1.00 1.73 H new ATOM 0 HH11 ARG A 125 -7.333 4.089 -12.163 1.00 2.55 H new ATOM 0 HH12 ARG A 125 -7.158 4.175 -13.919 1.00 2.55 H new ATOM 0 HH21 ARG A 125 -10.061 2.331 -14.547 1.00 3.41 H new ATOM 0 HH22 ARG A 125 -8.689 3.188 -15.257 1.00 3.41 H new ATOM 2034 N GLU A 126 -11.990 -1.239 -8.646 1.00 0.41 N ATOM 2035 CA GLU A 126 -13.053 -2.255 -8.888 1.00 0.47 C ATOM 2036 C GLU A 126 -14.086 -2.190 -7.760 1.00 0.56 C ATOM 2037 O GLU A 126 -15.240 -1.881 -7.980 1.00 0.82 O ATOM 2038 CB GLU A 126 -12.427 -3.650 -8.927 1.00 0.38 C ATOM 2039 CG GLU A 126 -13.157 -4.509 -9.961 1.00 0.48 C ATOM 2040 CD GLU A 126 -12.553 -5.915 -9.974 1.00 0.58 C ATOM 2041 OE1 GLU A 126 -11.801 -6.225 -9.066 1.00 1.05 O ATOM 2042 OE2 GLU A 126 -12.855 -6.658 -10.894 1.00 1.41 O ATOM 0 H GLU A 126 -11.078 -1.618 -8.389 1.00 0.41 H new ATOM 0 HA GLU A 126 -13.541 -2.050 -9.841 1.00 0.47 H new ATOM 0 HB2 GLU A 126 -11.369 -3.578 -9.180 1.00 0.38 H new ATOM 0 HB3 GLU A 126 -12.489 -4.115 -7.943 1.00 0.38 H new ATOM 0 HG2 GLU A 126 -14.219 -4.560 -9.722 1.00 0.48 H new ATOM 0 HG3 GLU A 126 -13.074 -4.057 -10.949 1.00 0.48 H new ATOM 2049 N LYS A 127 -13.679 -2.479 -6.554 1.00 0.39 N ATOM 2050 CA LYS A 127 -14.638 -2.434 -5.415 1.00 0.48 C ATOM 2051 C LYS A 127 -15.177 -1.010 -5.258 1.00 0.60 C ATOM 2052 O LYS A 127 -16.263 -0.798 -4.757 1.00 0.92 O ATOM 2053 CB LYS A 127 -13.923 -2.852 -4.130 1.00 0.52 C ATOM 2054 CG LYS A 127 -13.337 -4.255 -4.304 1.00 0.43 C ATOM 2055 CD LYS A 127 -13.500 -5.043 -3.003 1.00 0.75 C ATOM 2056 CE LYS A 127 -12.552 -6.243 -3.009 1.00 0.53 C ATOM 2057 NZ LYS A 127 -11.150 -5.769 -2.832 1.00 1.33 N ATOM 0 H LYS A 127 -12.725 -2.744 -6.309 1.00 0.39 H new ATOM 0 HA LYS A 127 -15.465 -3.117 -5.609 1.00 0.48 H new ATOM 0 HB2 LYS A 127 -13.130 -2.142 -3.895 1.00 0.52 H new ATOM 0 HB3 LYS A 127 -14.621 -2.839 -3.293 1.00 0.52 H new ATOM 0 HG2 LYS A 127 -13.841 -4.772 -5.120 1.00 0.43 H new ATOM 0 HG3 LYS A 127 -12.282 -4.189 -4.572 1.00 0.43 H new ATOM 0 HD2 LYS A 127 -13.286 -4.402 -2.148 1.00 0.75 H new ATOM 0 HD3 LYS A 127 -14.531 -5.381 -2.897 1.00 0.75 H new ATOM 0 HE2 LYS A 127 -12.817 -6.934 -2.209 1.00 0.53 H new ATOM 0 HE3 LYS A 127 -12.647 -6.790 -3.947 1.00 0.53 H new ATOM 0 HZ1 LYS A 127 -10.552 -6.165 -3.585 1.00 1.33 H new ATOM 0 HZ2 LYS A 127 -11.126 -4.730 -2.881 1.00 1.33 H new ATOM 0 HZ3 LYS A 127 -10.793 -6.080 -1.906 1.00 1.33 H new ATOM 2071 N TYR A 128 -14.424 -0.032 -5.684 1.00 0.42 N ATOM 2072 CA TYR A 128 -14.894 1.378 -5.559 1.00 0.51 C ATOM 2073 C TYR A 128 -16.079 1.605 -6.498 1.00 0.89 C ATOM 2074 O TYR A 128 -16.534 2.717 -6.682 1.00 1.09 O ATOM 2075 CB TYR A 128 -13.756 2.329 -5.935 1.00 0.43 C ATOM 2076 CG TYR A 128 -14.117 3.735 -5.522 1.00 0.44 C ATOM 2077 CD1 TYR A 128 -13.852 4.173 -4.220 1.00 0.32 C ATOM 2078 CD2 TYR A 128 -14.720 4.601 -6.443 1.00 0.58 C ATOM 2079 CE1 TYR A 128 -14.188 5.478 -3.837 1.00 0.34 C ATOM 2080 CE2 TYR A 128 -15.056 5.905 -6.061 1.00 0.60 C ATOM 2081 CZ TYR A 128 -14.790 6.344 -4.758 1.00 0.48 C ATOM 2082 OH TYR A 128 -15.121 7.629 -4.381 1.00 0.50 O ATOM 0 H TYR A 128 -13.506 -0.148 -6.112 1.00 0.42 H new ATOM 0 HA TYR A 128 -15.203 1.569 -4.531 1.00 0.51 H new ATOM 0 HB2 TYR A 128 -12.833 2.020 -5.444 1.00 0.43 H new ATOM 0 HB3 TYR A 128 -13.575 2.289 -7.009 1.00 0.43 H new ATOM 0 HD1 TYR A 128 -13.388 3.505 -3.510 1.00 0.32 H new ATOM 0 HD2 TYR A 128 -14.926 4.263 -7.448 1.00 0.58 H new ATOM 0 HE1 TYR A 128 -13.983 5.816 -2.832 1.00 0.34 H new ATOM 0 HE2 TYR A 128 -15.521 6.573 -6.771 1.00 0.60 H new ATOM 0 HH TYR A 128 -15.529 8.097 -5.139 1.00 0.50 H new